(3S)-3-[[(3S)-3-[[(3R,4R)-4-[[(3R)-3-[[(3R)-3-[[(1R,2R)-2-azanylcyclohexyl]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-[[(1R,2R)-2-azanylcyclohexyl]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-[[(1R,2R)-2-aminocyclohexanecarbonyl]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-[[[(1R,2R)-2-aminocyclohexyl]-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-[[(1R,2R)-2-aminocyclohexanecarbonyl]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-[[(1R,2R)-2-aminocyclohexanecarbonyl]amino]-4-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]nipecotoyl]amino]-5-methyl-hexanoyl]amino]adipic acid Formula: C36H63N7O10 MolecularWeight: 753.92632

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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)C2CCCCC2N

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]2CCCC[C@H]2N

InChI

InChI=1S/C36H63N7O10/c1-20(2)13-23(14-30(45)39-22(16-34(50)51)9-10-33(48)49)40-36(53)26-18-38-12-11-28(26)42-32(47)17-29(21(3)4)43-31(46)15-24(19-44)41-35(52)25-7-5-6-8-27(25)37/h20-29,38,44H,5-19,37H2,1-4H3,(H,39,45)(H,40,53)(H,41,52)(H,42,47)(H,43,46)(H,48,49)(H,50,51)/t22-,23-,24+,25+,26+,27+,28+,29+/m0/s1