2-(4-aminophenyl)-4-benzamido-5-(1H-indol-3-yl)-2-methyl-3-oxidanylidene-pentanoic acid

Systemtic Name: 2-(4-aminophenyl)-4-benzamido-5-(1H-indol-3-yl)-2-methyl-3-oxidanylidene-pentanoic acid Openeye Name: 2-(4-aminophenyl)-4-benzamido-5-(1H-indol-3-yl)-2-methyl-3-oxo-pentanoic acid CAS Name: 2-(4-aminophenyl)-4-benzamido-5-(1H-indol-3-yl)-2-methyl-3-oxopentanoic acid IUPAC Name: 2-(4-aminophenyl)-4-benzamido-5-(1H-indol-3-yl)-2-methyl-3-oxopentanoic acid Traditional Name: 2-(4-aminophenyl)-4-benzamido-5-(1H-indol-3-yl)-3-keto-2-methyl-valeric acid Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N)(C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)N)(C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C27H25N3O4/c1-27(26(33)34,19-11-13-20(28)14-12-19)24(31)23(30-25(32)17-7-3-2-4-8-17)15-18-16-29-22-10-6-5-9-21(18)22/h2-14,16,23,29H,15,28H2,1H3,(H,30,32)(H,33,34)