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.
| Canonical Smiles | CCC(C)C(C(=O)NC(C(C)CC)C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(C(C)CC)NC(=O)C(C(C)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)O)NC(=O)C2CCCN2C(=O)C(CCCN=C(N)N)NC(=O)C(CO)N |
|---|---|
| IUPAC Name | (2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoic acid |
| InChIKey | SXRAPDIXXYFGJG-MDAHIHQXSA-N |
| INCHI | 1S/C60H101N15O17/c1-9-31(4)44(54(86)69-41(29-36-19-13-12-14-20-36)52(84)70-45(32(5)10-2)55(87)72-46(59(91)92)33(6)11-3)71-57(89)48(35(8)78)73-51(83)38(21-15-16-26-61)66-50(82)39(24-25-43(79)80)67-56(88)47(34(7)77)74-53(85)42-23-18-28-75(42)58(90)40(22-17-27-65-60(63)64)68-49(81)37(62)30-76/h12-14,19-20,31-35,37-42,44-48,76-78H,9-11,15-18,21-30,61-62H2,1-8H3,(H,66,82)(H,67,88)(H,68,81)(H,69,86)(H,70,84)(H,71,89)(H,72,87)(H,73,83)(H,74,85)(H,79,80)(H,91,92)(H4,63,64,65)/t31-,32-,33-,34+,35+,37-,38-,39-,40-,41-,42-,44-,45-,46-,47-,48-/m0/s1 |
| Isomeric SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CO)N |
| Molecular Weight | 1304.55 |
| Reaxy-Rn | 31253437 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31253437&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 |
| Class | Polypeptides |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Polypeptides |
| Alternative Parents | Peptides Phenylalanine and derivatives Glutamic acid and derivatives Isoleucine and derivatives N-acyl-L-alpha-amino acids Proline and derivatives Serine and derivatives Alpha amino acid amides Amphetamines and derivatives N-acylpyrrolidines Pyrrolidinecarboxamides N-acyl amines Dicarboxylic acids and derivatives Tertiary carboxylic acid amides Guanidines Secondary alcohols Secondary carboxylic acid amides Amino acids Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxylic acids Carbonyl compounds Organic oxides Primary alcohols Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Polypeptide - Alpha peptide - Phenylalanine or derivatives - Glutamic acid or derivatives - Isoleucine or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Proline or derivatives - Alpha-amino acid amide - Serine or derivatives - Amphetamine or derivatives - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - N-acylpyrrolidine - Fatty acyl - Monocyclic benzene moiety - N-acyl-amine - Dicarboxylic acid or derivatives - Fatty amide - Benzenoid - Pyrrolidine - Tertiary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Secondary alcohol - Secondary carboxylic acid amide - Amino acid - Guanidine - Azacycle - Organoheterocyclic compound - Organic 1,3-dipolar compound - Carboxylic acid derivative - Carboxylic acid - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Alcohol - Primary amine - Primary aliphatic amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic 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 |
| Molecular Weight | 1304.500 g/mol |
|---|---|
| XLogP3 | -6.200 |
| Hydrogen Bond Donor Count | 18 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 42 |
| Exact Mass | 1303.75 Da |
| Monoisotopic Mass | 1303.75 Da |
| Topological Polar Surface Area | 534.000 Ų |
| Heavy Atom Count | 92 |
| Formal Charge | 0 |
| Complexity | 2480.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 16 |
| 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 |
