2-cyclohexyl-5-(4-hydroxyphenyl)-3-oxidanylidene-2-(phenylmethoxycarbonylamino)-4-[(phenylmethyl)amino]pentanoic acid

Systemtic Name: 2-cyclohexyl-5-(4-hydroxyphenyl)-3-oxidanylidene-2-(phenylmethoxycarbonylamino)-4-[(phenylmethyl)amino]pentanoic acid Openeye Name: 4-(benzylamino)-2-(benzyloxycarbonylamino)-2-cyclohexyl-5-(4-hydroxyphenyl)-3-oxo-pentanoic acid CAS Name: 2-cyclohexyl-5-(4-hydroxyphenyl)-3-oxo-2-(phenylmethoxycarbonylamino)-4-[(phenylmethyl)amino]pentanoic acid IUPAC Name: 4-(benzylamino)-2-cyclohexyl-5-(4-hydroxyphenyl)-3-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 4-(benzylamino)-2-(benzyloxycarbonylamino)-2-cyclohexyl-5-(4-hydroxyphenyl)-3-keto-valeric acid Formula: C32H36N2O6 MolecularWeight: 544.63804

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(C(=O)C(CC2=CC=C(C=C2)O)NCC3=CC=CC=C3)(C(=O)O)NC(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)C(C(=O)C(CC2=CC=C(C=C2)O)NCC3=CC=CC=C3)(C(=O)O)NC(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C32H36N2O6/c35-27-18-16-23(17-19-27)20-28(33-21-24-10-4-1-5-11-24)29(36)32(30(37)38,26-14-8-3-9-15-26)34-31(39)40-22-25-12-6-2-7-13-25/h1-2,4-7,10-13,16-19,26,28,33,35H,3,8-9,14-15,20-22H2,(H,34,39)(H,37,38)