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

Systemtic Name: (E)-7-azanyl-7-oxidanylidene-2-[3-phenylpropanoyl-[(5-phenyl-1H-pyrrol-2-yl)carbonylamino]amino]hept-2-enoic acid Openeye Name: (E)-7-amino-7-oxo-2-[3-phenylpropanoyl-[(5-phenyl-1H-pyrrole-2-carbonyl)amino]amino]hept-2-enoic acid CAS Name: (E)-7-amino-7-oxo-2-[(1-oxo-3-phenylpropyl)-[[oxo-(5-phenyl-1H-pyrrol-2-yl)methyl]amino]amino]-2-heptenoic acid IUPAC Name: (E)-7-amino-7-oxo-2-[3-phenylpropanoyl-[(5-phenyl-1H-pyrrole-2-carbonyl)amino]amino]hept-2-enoic acid Traditional Name: (E)-7-amino-2-[hydrocinnamoyl-[(5-phenyl-1H-pyrrole-2-carbonyl)amino]amino]-7-keto-hept-2-enoic acid Formula: C27H28N4O5 MolecularWeight: 488.53502

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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=CC=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=CC=CC=C3

InChI

InChI=1S/C27H28N4O5/c28-24(32)14-8-7-13-23(27(35)36)31(25(33)18-15-19-9-3-1-4-10-19)30-26(34)22-17-16-21(29-22)20-11-5-2-6-12-20/h1-6,9-13,16-17,29H,7-8,14-15,18H2,(H2,28,32)(H,30,34)(H,35,36)/b23-13+