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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N2O8/c1-21(2,3)31-20(28)23-16(18(26)29-4)12-8-11-15(17(24)25)22-19(27)30-13-14-9-6-5-7-10-14/h5-7,9-10,15-16H,8,11-13H2,1-4H3,(H,22,27)(H,23,28)(H,24,25)/t15-,16+/m1/s1