(phenylmethyl) (3S)-4-[(2-cyclohexylcarbonylphenyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) (3S)-4-[(2-cyclohexylcarbonylphenyl)amino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butanoate Openeye Name: benzyl (3S)-3-(tert-butoxycarbonylamino)-4-[2-(cyclohexanecarbonyl)anilino]-4-oxo-butanoate CAS Name: (3S)-4-[2-[cyclohexyl(oxo)methyl]anilino]-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl (3S)-4-[2-(cyclohexanecarbonyl)anilino]-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutanoate Traditional Name: (3S)-3-(tert-butoxycarbonylamino)-4-[2-(cyclohexanecarbonyl)anilino]-4-keto-butyric acid benzyl ester Formula: C29H36N2O6 MolecularWeight: 508.60594

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC(=O)OCC1=CC=CC=C1)C(=O)NC2=CC=CC=C2C(=O)C3CCCCC3

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC(=O)OCC1=CC=CC=C1)C(=O)NC2=CC=CC=C2C(=O)C3CCCCC3

InChI

InChI=1S/C29H36N2O6/c1-29(2,3)37-28(35)31-24(18-25(32)36-19-20-12-6-4-7-13-20)27(34)30-23-17-11-10-16-22(23)26(33)21-14-8-5-9-15-21/h4,6-7,10-13,16-17,21,24H,5,8-9,14-15,18-19H2,1-3H3,(H,30,34)(H,31,35)/t24-/m0/s1