(3S)-3-[[(3S)-3-[[(1R,2R)-2-[[(3R)-3-[[(3R)-3-[[(1R,2R)-2-azanylcyclohexyl]carbonylamino]-4-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]cyclohexyl]carbonylamino]-4-phenyl-butanoyl]amino]hexanedioic acid

Systemtic Name: (3S)-3-[[(3S)-3-[[(1R,2R)-2-[[(3R)-3-[[(3R)-3-[[(1R,2R)-2-azanylcyclohexyl]carbonylamino]-4-oxidanyl-butanoyl]amino]-4-methyl-pentanoyl]amino]cyclohexyl]carbonylamino]-4-phenyl-butanoyl]amino]hexanedioic acid Openeye Name: (3S)-3-[[(3S)-3-[[(1R,2R)-2-[[(3R)-3-[[(3R)-3-[[(1R,2R)-2-aminocyclohexanecarbonyl]amino]-4-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]cyclohexanecarbonyl]amino]-4-phenyl-butanoyl]amino]hexanedioic acid CAS Name: (3S)-3-[[(3S)-3-[[[(1R,2R)-2-[[(3R)-3-[[(3R)-3-[[[(1R,2R)-2-aminocyclohexyl]-oxomethyl]amino]-4-hydroxy-1-oxobutyl]amino]-4-methyl-1-oxopentyl]amino]cyclohexyl]-oxomethyl]amino]-1-oxo-4-phenylbutyl]amino]hexanedioic acid IUPAC Name: (3S)-3-[[(3S)-3-[[(1R,2R)-2-[[(3R)-3-[[(3R)-3-[[(1R,2R)-2-aminocyclohexanecarbonyl]amino]-4-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]cyclohexanecarbonyl]amino]-4-phenylbutanoyl]amino]hexanedioic acid Traditional Name: (3S)-3-[[(3S)-3-[[(1R,2R)-2-[[(3R)-3-[[(3R)-3-[[(1R,2R)-2-aminocyclohexanecarbonyl]amino]-4-hydroxy-butanoyl]amino]-4-methyl-pentanoyl]amino]cyclohexanecarbonyl]amino]-4-phenyl-butanoyl]amino]adipic acid Formula: C40H62N6O10 MolecularWeight: 786.95448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)NC1CCCCC1C(=O)NC(CC2=CC=CC=C2)CC(=O)NC(CCC(=O)O)CC(=O)O)NC(=O)CC(CO)NC(=O)C3CCCCC3N

Isomeric SMILES

CC(C)[C@@H](CC(=O)N[C@@H]1CCCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)CC(=O)N[C@@H](CCC(=O)O)CC(=O)O)NC(=O)C[C@H](CO)NC(=O)[C@@H]3CCCC[C@H]3N

InChI

InChI=1S/C40H62N6O10/c1-24(2)33(46-35(49)20-28(23-47)44-39(55)29-12-6-8-14-31(29)41)22-36(50)45-32-15-9-7-13-30(32)40(56)43-27(18-25-10-4-3-5-11-25)19-34(48)42-26(21-38(53)54)16-17-37(51)52/h3-5,10-11,24,26-33,47H,6-9,12-23,41H2,1-2H3,(H,42,48)(H,43,56)(H,44,55)(H,45,50)(H,46,49)(H,51,52)(H,53,54)/t26-,27-,28+,29+,30+,31+,32+,33+/m0/s1