(3S)-3-[[(3S)-3-[[(3R,4R)-4-[[(3S)-6-azanyl-3-[[(3R)-3-[[(3R,4R)-4-azanylpiperidin-3-yl]carbonylamino]-4-oxidanyl-butanoyl]amino]hexanoyl]amino]piperidin-3-yl]carbonylamino]-5-methyl-hexanoyl]amino]hexanedioic acid

Systemtic Name: (3S)-3-[[(3S)-3-[[(3R,4R)-4-[[(3S)-6-azanyl-3-[[(3R)-3-[[(3R,4R)-4-azanylpiperidin-3-yl]carbonylamino]-4-oxidanyl-butanoyl]amino]hexanoyl]amino]piperidin-3-yl]carbonylamino]-5-methyl-hexanoyl]amino]hexanedioic acid Openeye Name: (3S)-3-[[(3S)-3-[[(3R,4R)-4-[[(3S)-6-amino-3-[[(3R)-3-[[(3R,4R)-4-aminopiperidine-3-carbonyl]amino]-4-hydroxy-butanoyl]amino]hexanoyl]amino]piperidine-3-carbonyl]amino]-5-methyl-hexanoyl]amino]hexanedioic acid CAS Name: (3S)-3-[[(3S)-3-[[[(3R,4R)-4-[[(3S)-6-amino-3-[[(3R)-3-[[[(3R,4R)-4-amino-3-piperidinyl]-oxomethyl]amino]-4-hydroxy-1-oxobutyl]amino]-1-oxohexyl]amino]-3-piperidinyl]-oxomethyl]amino]-5-methyl-1-oxohexyl]amino]hexanedioic acid IUPAC Name: (3S)-3-[[(3S)-3-[[(3R,4R)-4-[[(3S)-6-amino-3-[[(3R)-3-[[(3R,4R)-4-aminopiperidine-3-carbonyl]amino]-4-hydroxybutanoyl]amino]hexanoyl]amino]piperidine-3-carbonyl]amino]-5-methylhexanoyl]amino]hexanedioic acid Traditional Name: (3S)-3-[[(3S)-3-[[(3R,4R)-4-[[(3S)-6-amino-3-[[(3R)-3-[[(3R,4R)-4-aminonipecotoyl]amino]-4-hydroxy-butanoyl]amino]hexanoyl]amino]nipecotoyl]amino]-5-methyl-hexanoyl]amino]adipic acid Formula: C35H63N9O10 MolecularWeight: 769.92902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(CC(=O)NC(CCC(=O)O)CC(=O)O)NC(=O)C1CNCCC1NC(=O)CC(CCCN)NC(=O)CC(CO)NC(=O)C2CNCCC2N

Isomeric SMILES

CC(C)C[C@@H](CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)[C@@H]1CNCC[C@H]1NC(=O)C[C@H](CCCN)NC(=O)C[C@H](CO)NC(=O)[C@@H]2CNCC[C@H]2N

InChI

InChI=1S/C35H63N9O10/c1-20(2)12-23(14-29(46)41-22(16-33(51)52)5-6-32(49)50)42-35(54)26-18-39-11-8-28(26)44-31(48)13-21(4-3-9-36)40-30(47)15-24(19-45)43-34(53)25-17-38-10-7-27(25)37/h20-28,38-39,45H,3-19,36-37H2,1-2H3,(H,40,47)(H,41,46)(H,42,54)(H,43,53)(H,44,48)(H,49,50)(H,51,52)/t21-,22-,23-,24+,25+,26+,27+,28+/m0/s1