2-[[4-cyclohexyloxy-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[4-cyclohexyloxy-4-oxidanylidene-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-4-(cyclohexoxy)-4-oxo-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[4-cyclohexyloxy-1,4-dioxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[4-cyclohexyloxy-4-oxo-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-(cyclohexoxy)-4-keto-butanoyl]amino]-3-phenyl-propionic acid Formula: C27H32N2O7 MolecularWeight: 496.55218

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)OC(=O)CC(C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H32N2O7/c30-24(36-21-14-8-3-9-15-21)17-22(29-27(34)35-18-20-12-6-2-7-13-20)25(31)28-23(26(32)33)16-19-10-4-1-5-11-19/h1-2,4-7,10-13,21-23H,3,8-9,14-18H2,(H,28,31)(H,29,34)(H,32,33)