(3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)heptanoic acid

Systemtic Name: (3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)heptanoic acid Openeye Name: (3S)-3-(benzyloxycarbonylamino)-7-(tert-butoxycarbonylamino)heptanoic acid CAS Name: (3S)-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(phenylmethoxycarbonylamino)heptanoic acid IUPAC Name: (3S)-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)heptanoic acid Traditional Name: (3S)-3-(benzyloxycarbonylamino)-7-(tert-butoxycarbonylamino)enanthic acid Formula: C20H30N2O6 MolecularWeight: 394.462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30N2O6/c1-20(2,3)28-18(25)21-12-8-7-11-16(13-17(23)24)22-19(26)27-14-15-9-5-4-6-10-15/h4-6,9-10,16H,7-8,11-14H2,1-3H3,(H,21,25)(H,22,26)(H,23,24)/t16-/m0/s1