2-[2-[(1,5-dimethylindol-2-yl)carbonylamino]propanoylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[2-[(1,5-dimethylindol-2-yl)carbonylamino]propanoylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[2-[(1,5-dimethylindole-2-carbonyl)amino]propanoylamino]-3-(1H-indol-3-yl)propionic acid Formula: C25H26N4O4 MolecularWeight: 446.49834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(C)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)O)C

InChI

InChI=1S/C25H26N4O4/c1-14-8-9-21-16(10-14)12-22(29(21)3)24(31)27-15(2)23(30)28-20(25(32)33)11-17-13-26-19-7-5-4-6-18(17)19/h4-10,12-13,15,20,26H,11H2,1-3H3,(H,27,31)(H,28,30)(H,32,33)