10mM in DMSO for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -80°C Ships Dry ice packs + Cold packs Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 528766663 |
|---|---|
| Sourires canoniques | CC(C)CC(C(=O)NCC(=O)NC(CC1=CN=CN1)C(=O)N2CCCC2C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CC6=CN=CN6)N |
| IUPAC Name | (3S)-3-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxohexan-2-yl]amino]-4-oxobutanoic acid |
| InChIKey | UQIBUOXNUPHALR-UVIWMAFZSA-N |
| INCHI | 1S/C72H104N20O17/c1-40(2)25-51(63(99)80-36-60(95)84-55(30-45-34-77-39-82-45)71(107)92-24-14-21-58(92)70(106)89-54(31-61(96)97)68(104)85-50(20-11-13-23-74)66(102)90-56(72(108)109)27-42-15-6-5-7-16-42)86-67(103)53(28-43-32-78-48-18-9-8-17-46(43)48)88-65(101)49(19-10-12-22-73)83-59(94)35-79-64(100)52(26-41(3)4)87-69(105)57(37-93)91-62(98)47(75)29-44-33-76-38-81-44/h5-9,15-18,32-34,38-41,47,49-58,78,93H,10-14,19-31,35-37,73-75H2,1-4H3,(H,76,81)(H,77,82)(H,79,100)(H,80,99)(H,83,94)(H,84,95)(H,85,104)(H,86,103)(H,87,105)(H,88,101)(H,89,106)(H,90,102)(H,91,98)(H,96,97)(H,108,109)/t47-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m0/s1 |
| Isomères SMILES | CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CN=CN6)N |
| Poids moléculaire | 1521.74 |
| Reaxy-Rn | 15474962 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15474962&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Organic Polymers |
| Classe | Polypeptides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Polypeptides |
| Alternative Parents | Peptides Phenylalanine and derivatives Histidine and derivatives Aspartic acid and derivatives Leucine and derivatives N-acyl-L-alpha-amino acids Proline and derivatives Serine and derivatives Alpha amino acid amides Tryptamines and derivatives Phenylpropanoic acids 3-alkylindoles Amphetamines and derivatives Pyrrolidinecarboxamides N-acylpyrrolidines Imidazolyl carboxylic acids and derivatives Aralkylamines N-acyl amines Dicarboxylic acids and derivatives Substituted pyrroles Heteroaromatic compounds Tertiary carboxylic acid amides Amino acids Secondary carboxylic acid amides Azacyclic compounds Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Primary alcohols |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Polypeptide - Alpha peptide - Phenylalanine or derivatives - Histidine or derivatives - Leucine or derivatives - Aspartic acid or derivatives - Proline or derivatives - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - Alpha-amino acid amide - Serine or derivatives - Triptan - 3-phenylpropanoic-acid - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Amphetamine or derivatives - 3-alkylindole - Indole - Indole or derivatives - Pyrrolidine carboxylic acid or derivatives - Imidazolyl carboxylic acid derivative - Pyrrolidine-2-carboxamide - N-acylpyrrolidine - Aralkylamine - Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Substituted pyrrole - Pyrrolidine - Pyrrole - Tertiary carboxylic acid amide - Azole - Heteroaromatic compound - Imidazole - Secondary carboxylic acid amide - Amino acid or derivatives - Amino acid - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organooxygen compound - Organonitrogen compound - Carbonyl group - Alcohol - Primary aliphatic amine - Organic oxide - Amine - Primary alcohol - Primary amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. |
| External Descriptors | Not available |
| Poids moléculaire | 1521.700 g/mol |
|---|---|
| XLogP3 | -5.700 |
| Hydrogen Bond Donor Count | 20 |
| Hydrogen Bond Acceptor Count | 22 |
| Rotatable Bond Count | 47 |
| Exact Mass | 1520.79 Da |
| Monoisotopic Mass | 1520.79 Da |
| Topological Polar Surface Area | 586.000 Ų |
| Heavy Atom Count | 109 |
| Formal Charge | 0 |
| Complexity | 3040.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 11 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
