Determine the necessary mass, volume, or concentration for preparing a solution.
≥95%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads 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 | CC(C)CC(C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)N1CCCC1C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)N)NC(=O)CNC(=O)C(CO)NC(=O)C(C(C)O)NC(=O)C(CCC(=O)N)NC(=O)C2CCCN2C(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CS)NC(=O)C(CO)N |
|---|---|
| IUPAC Name | (4S)-4-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-5-oxopentanoic acid |
| InChIKey | YEHDWBRMEXDYLT-RDEOYNLOSA-N |
| INCHI | 1S/C64H109N19O24S/c1-30(2)22-38(57(100)72-34(13-16-46(67)89)54(97)75-37(10-6-7-19-65)63(106)82-20-8-11-44(82)60(103)74-36(15-18-49(92)93)55(98)77-40(26-85)51(69)94)71-48(91)24-70-53(96)41(27-86)79-62(105)50(32(5)88)81-56(99)35(14-17-47(68)90)73-61(104)45-12-9-21-83(45)64(107)39(23-31(3)4)76-58(101)42(28-87)78-59(102)43(29-108)80-52(95)33(66)25-84/h30-45,50,84-88,108H,6-29,65-66H2,1-5H3,(H2,67,89)(H2,68,90)(H2,69,94)(H,70,96)(H,71,91)(H,72,100)(H,73,104)(H,74,103)(H,75,97)(H,76,101)(H,77,98)(H,78,102)(H,79,105)(H,80,95)(H,81,99)(H,92,93)/t32-,33+,34+,35+,36+,37+,38+,39+,40+,41+,42+,43+,44+,45+,50+/m1/s1 |
| Isomeric SMILES | C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CO)N)O |
| PubChem CID | 90471193 |
| Molecular Weight | 1560.73 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
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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 Glutamine and derivatives Glutamic acid and derivatives Leucine and derivatives Proline and derivatives N-acyl-alpha amino acids and derivatives Serine and derivatives Cysteine and derivatives Alpha amino acid amides Pyrrolidinecarboxamides N-acylpyrrolidines Heterocyclic fatty acids Hydroxy fatty acids Branched fatty acids N-acyl amines Tertiary carboxylic acid amides Primary carboxylic acid amides Secondary alcohols Secondary carboxylic acid amides Amino acids Alkylthiols Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organopnictogen compounds Primary alcohols Monoalkylamines Hydrocarbon derivatives |
| Molecular Framework | Aliphatic heteromonocyclic compounds |
| Substituents | Polypeptide - Alpha peptide - Glutamine or derivatives - Glutamic acid or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Proline or derivatives - Alpha-amino acid amide - Serine or derivatives - Cysteine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - Branched fatty acid - Heterocyclic fatty acid - Hydroxy fatty acid - Fatty amide - N-acyl-amine - Fatty acid - Fatty acyl - Tertiary carboxylic acid amide - Pyrrolidine - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Primary carboxylic acid amide - Amino acid - Carboxamide group - Alkylthiol - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Primary amine - Organic oxygen compound - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Primary alcohol - Primary aliphatic amine - Organopnictogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Aliphatic 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 |
| Solubility | Soluble to 1 (mg/mL) in water} |
|---|---|
| Molecular Weight | 1560.700 g/mol |
| XLogP3 | -12.300 |
| Hydrogen Bond Donor Count | 24 |
| Hydrogen Bond Acceptor Count | 27 |
| Rotatable Bond Count | 50 |
| Exact Mass | 1559.76 Da |
| Monoisotopic Mass | 1559.76 Da |
| Topological Polar Surface Area | 711.000 Ų |
| Heavy Atom Count | 108 |
| Formal Charge | 0 |
| Complexity | 3150.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 15 |
| 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 |