ethyl (E,4S)-4-[[(2S)-2-(3-acetamido-2-oxidanylidene-pyridin-1-yl)-3-phenyl-propanoyl]amino]-7-azanyl-7-oxidanylidene-hept-2-enoate

Systemtic Name: ethyl (E,4S)-4-[[(2S)-2-(3-acetamido-2-oxidanylidene-pyridin-1-yl)-3-phenyl-propanoyl]amino]-7-azanyl-7-oxidanylidene-hept-2-enoate Openeye Name: ethyl (E,4S)-4-[[(2S)-2-(3-acetamido-2-oxo-1-pyridyl)-3-phenyl-propanoyl]amino]-7-amino-7-oxo-hept-2-enoate CAS Name: (E,4S)-4-[[(2S)-2-(3-acetamido-2-oxo-1-pyridinyl)-1-oxo-3-phenylpropyl]amino]-7-amino-7-oxo-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E,4S)-4-[[(2S)-2-(3-acetamido-2-oxopyridin-1-yl)-3-phenylpropanoyl]amino]-7-amino-7-oxohept-2-enoate Traditional Name: (E,4S)-4-[[(2S)-2-(3-acetamido-2-keto-1-pyridyl)-3-phenyl-propanoyl]amino]-7-amino-7-keto-hept-2-enoic acid ethyl ester Formula: C25H30N4O6 MolecularWeight: 482.5289

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC(CCC(=O)N)NC(=O)C(CC1=CC=CC=C1)N2C=CC=C(C2=O)NC(=O)C

Isomeric SMILES

CCOC(=O)/C=C/[C@H](CCC(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)N2C=CC=C(C2=O)NC(=O)C

InChI

InChI=1S/C25H30N4O6/c1-3-35-23(32)14-12-19(11-13-22(26)31)28-24(33)21(16-18-8-5-4-6-9-18)29-15-7-10-20(25(29)34)27-17(2)30/h4-10,12,14-15,19,21H,3,11,13,16H2,1-2H3,(H2,26,31)(H,27,30)(H,28,33)/b14-12+/t19-,21-/m0/s1