methyl (2R,5S)-6,6-dimethyl-4-oxidanylidene-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)heptanoate

Systemtic Name: methyl (2R,5S)-6,6-dimethyl-4-oxidanylidene-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)heptanoate Openeye Name: methyl (2R,5S)-2-benzyl-5-(benzyloxycarbonylamino)-6,6-dimethyl-4-oxo-heptanoate CAS Name: (2R,5S)-6,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)-2-(phenylmethyl)heptanoic acid methyl ester IUPAC Name: methyl (2R,5S)-2-benzyl-6,6-dimethyl-4-oxo-5-(phenylmethoxycarbonylamino)heptanoate Traditional Name: (2R,5S)-2-benzyl-5-(benzyloxycarbonylamino)-4-keto-6,6-dimethyl-enanthic acid methyl ester Formula: C25H31NO5 MolecularWeight: 425.51734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(=O)CC(CC1=CC=CC=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)[C@@H](C(=O)C[C@@H](CC1=CC=CC=C1)C(=O)OC)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C25H31NO5/c1-25(2,3)22(26-24(29)31-17-19-13-9-6-10-14-19)21(27)16-20(23(28)30-4)15-18-11-7-5-8-12-18/h5-14,20,22H,15-17H2,1-4H3,(H,26,29)/t20-,22-/m1/s1