carboxy 2-[(2-azanyl-4-methyl-pentanoyl)-(4-phenylphenyl)amino]-2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate

Systemtic Name: carboxy 2-[(2-azanyl-4-methyl-pentanoyl)-(4-phenylphenyl)amino]-2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate Openeye Name: carboxy 2-(N-(2-amino-4-methyl-pentanoyl)-4-phenyl-anilino)-7-(tert-butoxycarbonylamino)-2-methyl-heptanoate CAS Name: 2-(N-(2-amino-4-methyl-1-oxopentyl)-4-phenylanilino)-2-methyl-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]heptanoic acid carboxy ester IUPAC Name: carboxy 2-(N-(2-amino-4-methylpentanoyl)-4-phenylanilino)-2-methyl-7-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate Traditional Name: 2-(N-(2-amino-4-methyl-pentanoyl)-4-phenyl-anilino)-7-(tert-butoxycarbonylamino)-2-methyl-enanthic acid carboxy ester Formula: C32H45N3O7 MolecularWeight: 583.7156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C1=CC=C(C=C1)C2=CC=CC=C2)C(C)(CCCCCNC(=O)OC(C)(C)C)C(=O)OC(=O)O)N

Isomeric SMILES

CC(C)CC(C(=O)N(C1=CC=C(C=C1)C2=CC=CC=C2)C(C)(CCCCCNC(=O)OC(C)(C)C)C(=O)OC(=O)O)N

InChI

InChI=1S/C32H45N3O7/c1-22(2)21-26(33)27(36)35(25-17-15-24(16-18-25)23-13-9-7-10-14-23)32(6,28(37)41-30(39)40)19-11-8-12-20-34-29(38)42-31(3,4)5/h7,9-10,13-18,22,26H,8,11-12,19-21,33H2,1-6H3,(H,34,38)(H,39,40)