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

Systemtic Name: 1-[4-azanylbutyl-(2-carboxy-4-phenyl-butyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid Openeye Name: 1-[4-aminobutyl-(2-carboxy-4-phenyl-butyl)carbamoyl]indoline-2-carboxylic acid CAS Name: 1-[[4-aminobutyl-(2-carboxy-4-phenylbutyl)amino]-oxomethyl]-2,3-dihydroindole-2-carboxylic acid IUPAC Name: 1-[4-aminobutyl-(2-carboxy-4-phenylbutyl)carbamoyl]-2,3-dihydroindole-2-carboxylic acid Traditional Name: 1-[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:

C1C(N(C2=CC=CC=C21)C(=O)N(CCCCN)CC(CCC3=CC=CC=C3)C(=O)O)C(=O)O

Isomeric SMILES

C1C(N(C2=CC=CC=C21)C(=O)N(CCCCN)CC(CCC3=CC=CC=C3)C(=O)O)C(=O)O

InChI

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