methyl (3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)heptanoate

Systemtic Name: methyl (3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)heptanoate Openeye Name: methyl (3S)-3-(benzyloxycarbonylamino)-7-(tert-butoxycarbonylamino)heptanoate CAS Name: (3S)-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(phenylmethoxycarbonylamino)heptanoic acid methyl ester IUPAC Name: methyl (3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)heptanoate Traditional Name: (3S)-3-(benzyloxycarbonylamino)-7-(tert-butoxycarbonylamino)enanthic acid methyl ester Formula: C21H32N2O6 MolecularWeight: 408.48858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(CC(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCC[C@@H](CC(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H32N2O6/c1-21(2,3)29-19(25)22-13-9-8-12-17(14-18(24)27-4)23-20(26)28-15-16-10-6-5-7-11-16/h5-7,10-11,17H,8-9,12-15H2,1-4H3,(H,22,25)(H,23,26)/t17-/m0/s1