ethyl (E)-7-azanyl-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-7-oxidanylidene-hept-2-enoate

Systemtic Name: ethyl (E)-7-azanyl-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-7-oxidanylidene-hept-2-enoate Openeye Name: ethyl (E)-7-amino-4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-7-oxo-hept-2-enoate CAS Name: (E)-7-amino-4-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-7-oxo-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-amino-4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-7-oxohept-2-enoate Traditional Name: (E)-7-amino-4-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-7-keto-hept-2-enoic acid ethyl ester Formula: C23H33N3O6 MolecularWeight: 447.52462

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)/C=C/C(CCC(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C23H33N3O6/c1-5-31-20(28)14-12-17(11-13-19(24)27)25-21(29)18(15-16-9-7-6-8-10-16)26-22(30)32-23(2,3)4/h6-10,12,14,17-18H,5,11,13,15H2,1-4H3,(H2,24,27)(H,25,29)(H,26,30)/b14-12+