3-[4-azanylbutyl-(2-carboxy-4-phenyl-butyl)carbamoyl]-2,3-dihydro-1H-indole-2-carboxylic acid

Systemtic Name: 3-[4-azanylbutyl-(2-carboxy-4-phenyl-butyl)carbamoyl]-2,3-dihydro-1H-indole-2-carboxylic acid Openeye Name: 3-[4-aminobutyl-(2-carboxy-4-phenyl-butyl)carbamoyl]indoline-2-carboxylic acid CAS Name: 3-[[4-aminobutyl-(2-carboxy-4-phenylbutyl)amino]-oxomethyl]-2,3-dihydro-1H-indole-2-carboxylic acid IUPAC Name: 3-[4-aminobutyl-(2-carboxy-4-phenylbutyl)carbamoyl]-2,3-dihydro-1H-indole-2-carboxylic acid Traditional Name: 3-[4-aminobutyl-(2-carboxy-4-phenyl-butyl)carbamoyl]indoline-2-carboxylic acid Formula: C25H31N3O5 MolecularWeight: 453.53074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(CN(CCCCN)C(=O)C2C(NC3=CC=CC=C23)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(CN(CCCCN)C(=O)C2C(NC3=CC=CC=C23)C(=O)O)C(=O)O

InChI

InChI=1S/C25H31N3O5/c26-14-6-7-15-28(16-18(24(30)31)13-12-17-8-2-1-3-9-17)23(29)21-19-10-4-5-11-20(19)27-22(21)25(32)33/h1-5,8-11,18,21-22,27H,6-7,12-16,26H2,(H,30,31)(H,32,33)