5-(1-adamantylcarbonyloxy)-4-oxidanyl-2-[[3-[(3-phenylmethoxyphenyl)carbonylamino]phenyl]carbonylamino]pentanoic acid

Systemtic Name: 5-(1-adamantylcarbonyloxy)-4-oxidanyl-2-[[3-[(3-phenylmethoxyphenyl)carbonylamino]phenyl]carbonylamino]pentanoic acid Openeye Name: 5-(adamantane-1-carbonyloxy)-2-[[3-[(3-benzyloxybenzoyl)amino]benzoyl]amino]-4-hydroxy-pentanoic acid CAS Name: 5-[1-adamantyl(oxo)methoxy]-4-hydroxy-2-[[oxo-[3-[[oxo-(3-phenylmethoxyphenyl)methyl]amino]phenyl]methyl]amino]pentanoic acid IUPAC Name: 5-(adamantane-1-carbonyloxy)-4-hydroxy-2-[[3-[(3-phenylmethoxybenzoyl)amino]benzoyl]amino]pentanoic acid Traditional Name: 5-(adamantane-1-carbonyloxy)-2-[[3-[(3-benzoxybenzoyl)amino]benzoyl]amino]-4-hydroxy-valeric acid Formula: C37H40N2O8 MolecularWeight: 640.7221

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(CC(C(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)C5=CC(=CC=C5)OCC6=CC=CC=C6)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)OCC(CC(C(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)C5=CC(=CC=C5)OCC6=CC=CC=C6)O

InChI

InChI=1S/C37H40N2O8/c40-30(22-47-36(45)37-18-24-12-25(19-37)14-26(13-24)20-37)17-32(35(43)44)39-34(42)27-8-4-10-29(15-27)38-33(41)28-9-5-11-31(16-28)46-21-23-6-2-1-3-7-23/h1-11,15-16,24-26,30,32,40H,12-14,17-22H2,(H,38,41)(H,39,42)(H,43,44)