(2S,6R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-phenylmethoxy-2-(phenylmethoxycarbonylamino)heptanoic acid

Systemtic Name: (2S,6R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-7-phenylmethoxy-2-(phenylmethoxycarbonylamino)heptanoic acid Openeye Name: (2S,6R)-7-benzyloxy-2-(benzyloxycarbonylamino)-6-(tert-butoxycarbonylamino)-7-oxo-heptanoic acid CAS Name: (2S,6R)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-7-phenylmethoxy-2-(phenylmethoxycarbonylamino)heptanoic acid IUPAC Name: (2S,6R)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-7-phenylmethoxy-2-(phenylmethoxycarbonylamino)heptanoic acid Traditional Name: (2S,6R)-7-benzoxy-2-(benzyloxycarbonylamino)-6-(tert-butoxycarbonylamino)-7-keto-enanthic acid Formula: C27H34N2O8 MolecularWeight: 514.56746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCC(C(=O)O)NC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H](CCC[C@@H](C(=O)O)NC(=O)OCC1=CC=CC=C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C27H34N2O8/c1-27(2,3)37-26(34)29-22(24(32)35-17-19-11-6-4-7-12-19)16-10-15-21(23(30)31)28-25(33)36-18-20-13-8-5-9-14-20/h4-9,11-14,21-22H,10,15-18H2,1-3H3,(H,28,33)(H,29,34)(H,30,31)/t21-,22+/m0/s1