ethyl (E)-7-azanyl-7-oxidanylidene-4-[2-[6-oxidanylidene-2-phenyl-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]ethanoylamino]hept-2-enoate

Systemtic Name: ethyl (E)-7-azanyl-7-oxidanylidene-4-[2-[6-oxidanylidene-2-phenyl-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]ethanoylamino]hept-2-enoate Openeye Name: ethyl (E)-7-amino-4-[[2-[5-(benzyloxycarbonylamino)-6-oxo-2-phenyl-pyrimidin-1-yl]acetyl]amino]-7-oxo-hept-2-enoate CAS Name: (E)-7-amino-7-oxo-4-[[1-oxo-2-[6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)-1-pyrimidinyl]ethyl]amino]-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-7-amino-7-oxo-4-[[2-[6-oxo-2-phenyl-5-(phenylmethoxycarbonylamino)pyrimidin-1-yl]acetyl]amino]hept-2-enoate Traditional Name: (E)-7-amino-4-[[2-[5-(benzyloxycarbonylamino)-6-keto-2-phenyl-pyrimidin-1-yl]acetyl]amino]-7-keto-hept-2-enoic acid ethyl ester Formula: C29H31N5O7 MolecularWeight: 561.58574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC(=O)N)NC(=O)CN1C(=NC=C(C1=O)NC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C/C(CCC(=O)N)NC(=O)CN1C(=NC=C(C1=O)NC(=O)OCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C29H31N5O7/c1-2-40-26(37)16-14-22(13-15-24(30)35)32-25(36)18-34-27(21-11-7-4-8-12-21)31-17-23(28(34)38)33-29(39)41-19-20-9-5-3-6-10-20/h3-12,14,16-17,22H,2,13,15,18-19H2,1H3,(H2,30,35)(H,32,36)(H,33,39)/b16-14+