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

Systemtic Name: methyl (3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-3-(phenylmethoxycarbonylamino)heptanoate Openeye Name: methyl (3S)-3-(benzyloxycarbonylamino)-7-(tert-butoxycarbonylamino)-2-hydroxy-heptanoate CAS Name: (3S)-2-hydroxy-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(phenylmethoxycarbonylamino)heptanoic acid methyl ester IUPAC Name: methyl (3S)-2-hydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)heptanoate Traditional Name: (3S)-3-(benzyloxycarbonylamino)-7-(tert-butoxycarbonylamino)-2-hydroxy-enanthic acid methyl ester Formula: C21H32N2O7 MolecularWeight: 424.48798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N2O7/c1-21(2,3)30-19(26)22-13-9-8-12-16(17(24)18(25)28-4)23-20(27)29-14-15-10-6-5-7-11-15/h5-7,10-11,16-17,24H,8-9,12-14H2,1-4H3,(H,22,26)(H,23,27)/t16-,17?/m0/s1