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

Systemtic Name: (2S,6R)-7-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxidanylidene-6-(phenylmethoxycarbonylamino)heptanoic acid Openeye Name: (2S,6R)-6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)-7-methoxy-7-oxo-heptanoic acid CAS Name: (2S,6R)-7-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-7-oxo-6-(phenylmethoxycarbonylamino)heptanoic acid IUPAC Name: (2S,6R)-7-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxo-6-(phenylmethoxycarbonylamino)heptanoic acid Traditional Name: (2S,6R)-6-(benzyloxycarbonylamino)-2-(tert-butoxycarbonylamino)-7-keto-7-methoxy-enanthic acid Formula: C21H30N2O8 MolecularWeight: 438.4715

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O8/c1-21(2,3)31-20(28)22-15(17(24)25)11-8-12-16(18(26)29-4)23-19(27)30-13-14-9-6-5-7-10-14/h5-7,9-10,15-16H,8,11-13H2,1-4H3,(H,22,28)(H,23,27)(H,24,25)/t15-,16+/m0/s1