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

Systemtic Name: (3S)-3-[[(3S)-3-[[(3R,4R)-4-[[(3R)-3-[[(3R)-3-[[(3R,4R)-4-azanylpiperidin-3-yl]carbonylamino]-4-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]piperidin-3-yl]carbonylamino]-5-methyl-hexanoyl]amino]hexanedioic acid Openeye Name: (3S)-3-[[(3S)-3-[[(3R,4R)-4-[[(3R)-3-[[(3R)-3-[[(3R,4R)-4-aminopiperidine-3-carbonyl]amino]-4-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]piperidine-3-carbonyl]amino]-5-methyl-hexanoyl]amino]hexanedioic acid CAS Name: (3S)-3-[[(3S)-3-[[[(3R,4R)-4-[[(3R)-3-[[(3R)-3-[[[(3R,4R)-4-amino-3-piperidinyl]-oxomethyl]amino]-4-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]-3-piperidinyl]-oxomethyl]amino]-5-methyl-1-oxohexyl]amino]hexanedioic acid IUPAC Name: (3S)-3-[[(3S)-3-[[(3R,4R)-4-[[(3R)-3-[[(3R)-3-[[(3R,4R)-4-aminopiperidine-3-carbonyl]amino]-4-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]piperidine-3-carbonyl]amino]-5-methylhexanoyl]amino]hexanedioic acid Traditional Name: (3S)-3-[[(3S)-3-[[(3R,4R)-4-[[(3R)-3-[[(3R)-3-[[(3R,4R)-4-aminonipecotoyl]amino]-4-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]nipecotoyl]amino]-5-methyl-hexanoyl]amino]adipic acid Formula: C35H62N8O10 MolecularWeight: 754.91438

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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(C(C)C)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](C(C)C)NC(=O)C[C@H](CO)NC(=O)[C@@H]2CNCC[C@H]2N

InChI

InChI=1S/C35H62N8O10/c1-19(2)11-22(12-29(45)39-21(14-33(50)51)5-6-32(48)49)40-35(53)25-17-38-10-8-27(25)42-31(47)15-28(20(3)4)43-30(46)13-23(18-44)41-34(52)24-16-37-9-7-26(24)36/h19-28,37-38,44H,5-18,36H2,1-4H3,(H,39,45)(H,40,53)(H,41,52)(H,42,47)(H,43,46)(H,48,49)(H,50,51)/t21-,22-,23+,24+,25+,26+,27+,28+/m0/s1