2-[[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methyl-butanoyl]amino]-3-phenyl-propionic acid Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(C(C)C)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(C(C)C)C(=O)NC(CC3=CC=CC=C3)C(=O)O)C

InChI

InChI=1S/C25H29N3O4/c1-15(2)22(24(30)26-19(25(31)32)13-17-8-6-5-7-9-17)27-23(29)21-14-18-12-16(3)10-11-20(18)28(21)4/h5-12,14-15,19,22H,13H2,1-4H3,(H,26,30)(H,27,29)(H,31,32)