4-azanyl-3-[2-benzamido-3-(1H-indol-3-yl)propanoyl]-2-ethyl-benzoic acid

Systemtic Name: 4-azanyl-3-[2-benzamido-3-(1H-indol-3-yl)propanoyl]-2-ethyl-benzoic acid Openeye Name: 4-amino-3-[2-benzamido-3-(1H-indol-3-yl)propanoyl]-2-ethyl-benzoic acid CAS Name: 4-amino-3-[2-benzamido-3-(1H-indol-3-yl)-1-oxopropyl]-2-ethylbenzoic acid IUPAC Name: 4-amino-3-[2-benzamido-3-(1H-indol-3-yl)propanoyl]-2-ethylbenzoic acid Traditional Name: 4-amino-3-[2-benzamido-3-(1H-indol-3-yl)propanoyl]-2-ethyl-benzoic acid Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4)N)C(=O)O

Isomeric SMILES

CCC1=C(C=CC(=C1C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C4=CC=CC=C4)N)C(=O)O

InChI

InChI=1S/C27H25N3O4/c1-2-18-20(27(33)34)12-13-21(28)24(18)25(31)23(30-26(32)16-8-4-3-5-9-16)14-17-15-29-22-11-7-6-10-19(17)22/h3-13,15,23,29H,2,14,28H2,1H3,(H,30,32)(H,33,34)