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

Systemtic Name: 7-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxidanyl-3-(phenylmethoxycarbonylamino)heptanoate Openeye Name: 3-(benzyloxycarbonylamino)-7-(tert-butoxycarbonylamino)-2-hydroxy-heptanoate CAS Name: 2-hydroxy-7-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-(phenylmethoxycarbonylamino)heptanoate IUPAC Name: 2-hydroxy-7-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(phenylmethoxycarbonylamino)heptanoate Traditional Name: 3-(benzyloxycarbonylamino)-7-(tert-butoxycarbonylamino)-2-hydroxy-enanthate Formula: C20H29N2O7- MolecularWeight: 409.45346

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCC(C(C(=O)[O-])O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCC(C(C(=O)[O-])O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H30N2O7/c1-20(2,3)29-18(26)21-12-8-7-11-15(16(23)17(24)25)22-19(27)28-13-14-9-5-4-6-10-14/h4-6,9-10,15-16,23H,7-8,11-13H2,1-3H3,(H,21,26)(H,22,27)(H,24,25)/p-1