Determine the necessary mass, volume, or concentration for preparing a solution.
≥97%(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)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8 |
|---|---|
| IUPAC Name | (2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide |
| InChIKey | NMJREATYWWNIKX-XJIZABAQSA-N |
| INCHI | 1S/C60H73N15O13/c1-32(2)20-47(60(88)75-19-7-12-49(75)59(87)65-28-50(61)78)73-55(83)44(22-34-25-63-40-10-5-3-8-38(34)40)69-52(80)29-66-53(81)43(21-33-13-15-37(77)16-14-33)70-58(86)48(30-76)74-56(84)45(23-35-26-64-41-11-6-4-9-39(35)41)71-57(85)46(24-36-27-62-31-67-36)72-54(82)42-17-18-51(79)68-42/h3-6,8-11,13-16,25-27,31-32,42-49,63-64,76-77H,7,12,17-24,28-30H2,1-2H3,(H2,61,78)(H,62,67)(H,65,87)(H,66,81)(H,68,79)(H,69,80)(H,70,86)(H,71,85)(H,72,82)(H,73,83)(H,74,84)/t42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 |
| Isomeric SMILES | CC(C)C[C@@H](C(=O)N1CCC[C@H]1C(=O)NCC(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC7=CN=CN7)NC(=O)[C@@H]8CCC(=O)N8 |
| PubChem CID | 16130967 |
| Molecular Weight | 1212.31 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 Tyrosine and derivatives Phenylalanine and derivatives Histidine and derivatives Leucine and derivatives N-acyl-alpha amino acids and derivatives Proline and derivatives Tryptamines and derivatives Serine and derivatives Alpha amino acid amides Amphetamines and derivatives 3-alkylindoles N-acylpyrrolidines Pyrrolidinecarboxamides 1-hydroxy-2-unsubstituted benzenoids Fatty amides Substituted pyrroles Pyrrolidine-2-ones Tertiary carboxylic acid amides Heteroaromatic compounds Imidazoles Secondary carboxylic acid amides Primary carboxylic acid amides Lactams Azacyclic compounds Organic oxides Organonitrogen compounds Carbonyl compounds Primary alcohols Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Polypeptide - Alpha peptide - Tyrosine or derivatives - Phenylalanine or derivatives - Histidine or derivatives - Leucine or derivatives - Proline or derivatives - N-acyl-alpha amino acid or derivatives - Triptan - Alpha-amino acid amide - Serine or derivatives - Amphetamine or derivatives - 3-alkylindole - Alpha-amino acid or derivatives - N-substituted-alpha-amino acid - Indole - Indole or derivatives - N-acylpyrrolidine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine-2-carboxamide - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Substituted pyrrole - Fatty amide - 2-pyrrolidone - Pyrrolidone - Monocyclic benzene moiety - Benzenoid - Fatty acyl - Imidazole - Heteroaromatic compound - Pyrrolidine - Azole - Tertiary carboxylic acid amide - Pyrrole - Secondary carboxylic acid amide - Carboxamide group - Primary carboxylic acid amide - Lactam - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Alcohol - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Primary alcohol - 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 |
| Molecular Weight | 1212.300 g/mol |
|---|---|
| XLogP3 | 0.500 |
| Hydrogen Bond Donor Count | 15 |
| Hydrogen Bond Acceptor Count | 14 |
| Rotatable Bond Count | 29 |
| Exact Mass | 1211.55 Da |
| Monoisotopic Mass | 1211.55 Da |
| Topological Polar Surface Area | 426.000 Ų |
| Heavy Atom Count | 88 |
| Formal Charge | 0 |
| Complexity | 2480.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| 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 |