5-(2-carboxyethylamino)-5-oxidanylidene-2,4-bis[(4-pyrrol-1-ylphenyl)methyl]pentanoic acid

Systemtic Name: 5-(2-carboxyethylamino)-5-oxidanylidene-2,4-bis[(4-pyrrol-1-ylphenyl)methyl]pentanoic acid Openeye Name: 5-(2-carboxyethylamino)-5-oxo-2,4-bis[(4-pyrrol-1-ylphenyl)methyl]pentanoic acid CAS Name: 5-(2-carboxyethylamino)-5-oxo-2,4-bis[[4-(1-pyrrolyl)phenyl]methyl]pentanoic acid IUPAC Name: 5-(2-carboxyethylamino)-5-oxo-2,4-bis[(4-pyrrol-1-ylphenyl)methyl]pentanoic acid Traditional Name: 5-(2-carboxyethylamino)-5-keto-2,4-bis(4-pyrrol-1-ylbenzyl)valeric acid Formula: C30H31N3O5 MolecularWeight: 513.58424

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C=C1)C2=CC=C(C=C2)CC(CC(CC3=CC=C(C=C3)N4C=CC=C4)C(=O)O)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CN(C=C1)C2=CC=C(C=C2)CC(CC(CC3=CC=C(C=C3)N4C=CC=C4)C(=O)O)C(=O)NCCC(=O)O

InChI

InChI=1S/C30H31N3O5/c34-28(35)13-14-31-29(36)24(19-22-5-9-26(10-6-22)32-15-1-2-16-32)21-25(30(37)38)20-23-7-11-27(12-8-23)33-17-3-4-18-33/h1-12,15-18,24-25H,13-14,19-21H2,(H,31,36)(H,34,35)(H,37,38)