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

Systemtic Name: 3-[[2-[(1,5-dimethylindol-2-yl)carbonylamino]-3-methyl-pentanoyl]amino]propanoic acid Openeye Name: 3-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methyl-pentanoyl]amino]propanoic acid CAS Name: 3-[[2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-3-methyl-1-oxopentyl]amino]propanoic acid IUPAC Name: 3-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methylpentanoyl]amino]propanoic acid Traditional Name: 3-[[2-[(1,5-dimethylindole-2-carbonyl)amino]-3-methyl-pentanoyl]amino]propionic acid Formula: C20H27N3O4 MolecularWeight: 373.44608

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NCCC(=O)O)NC(=O)C1=CC2=C(N1C)C=CC(=C2)C

Isomeric SMILES

CCC(C)C(C(=O)NCCC(=O)O)NC(=O)C1=CC2=C(N1C)C=CC(=C2)C

InChI

InChI=1S/C20H27N3O4/c1-5-13(3)18(20(27)21-9-8-17(24)25)22-19(26)16-11-14-10-12(2)6-7-15(14)23(16)4/h6-7,10-11,13,18H,5,8-9H2,1-4H3,(H,21,27)(H,22,26)(H,24,25)