(E)-7-azanyl-7-oxidanylidene-2-[3-phenylpropanoyl-[(5-pyridin-3-yl-1H-pyrrol-2-yl)carbonylamino]amino]hept-2-enoic acid

Systemtic Name: (E)-7-azanyl-7-oxidanylidene-2-[3-phenylpropanoyl-[(5-pyridin-3-yl-1H-pyrrol-2-yl)carbonylamino]amino]hept-2-enoic acid Openeye Name: (E)-7-amino-7-oxo-2-[3-phenylpropanoyl-[[5-(3-pyridyl)-1H-pyrrole-2-carbonyl]amino]amino]hept-2-enoic acid CAS Name: (E)-7-amino-7-oxo-2-[(1-oxo-3-phenylpropyl)-[[oxo-[5-(3-pyridinyl)-1H-pyrrol-2-yl]methyl]amino]amino]-2-heptenoic acid IUPAC Name: (E)-7-amino-7-oxo-2-[3-phenylpropanoyl-[(5-pyridin-3-yl-1H-pyrrole-2-carbonyl)amino]amino]hept-2-enoic acid Traditional Name: (E)-7-amino-2-[hydrocinnamoyl-[[5-(3-pyridyl)-1H-pyrrole-2-carbonyl]amino]amino]-7-keto-hept-2-enoic acid Formula: C26H27N5O5 MolecularWeight: 489.52308

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)N(C(=CCCCC(=O)N)C(=O)O)NC(=O)C2=CC=C(N2)C3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N(/C(=C/CCCC(=O)N)/C(=O)O)NC(=O)C2=CC=C(N2)C3=CN=CC=C3

InChI

InChI=1S/C26H27N5O5/c27-23(32)11-5-4-10-22(26(35)36)31(24(33)15-12-18-7-2-1-3-8-18)30-25(34)21-14-13-20(29-21)19-9-6-16-28-17-19/h1-3,6-10,13-14,16-17,29H,4-5,11-12,15H2,(H2,27,32)(H,30,34)(H,35,36)/b22-10+