4-[[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-methyl-butanoyl]amino]butanoic acid

Systemtic Name: 4-[[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-methyl-butanoyl]amino]butanoic acid Openeye Name: 4-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methyl-butanoyl]amino]butanoic acid CAS Name: 4-[[2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]amino]butanoic acid IUPAC Name: 4-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methylbutanoyl]amino]butanoic acid Traditional Name: 4-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methyl-butanoyl]amino]butyric acid Formula: C20H27N3O4 MolecularWeight: 373.44608

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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)NCCCC(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(C(C)C)C(=O)NCCCC(=O)O)C

InChI

InChI=1S/C20H27N3O4/c1-12(2)18(20(27)21-9-5-6-17(24)25)22-19(26)16-11-14-10-13(3)7-8-15(14)23(16)4/h7-8,10-12,18H,5-6,9H2,1-4H3,(H,21,27)(H,22,26)(H,24,25)