1-[2-[(1,5-dimethylindol-2-yl)carbonylamino]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[(1,5-dimethylindol-2-yl)carbonylamino]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[(1,5-dimethyl-2-indolyl)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[(1,5-dimethylindole-2-carbonyl)amino]-4-(methylthio)butanoyl]proline Formula: C21H27N3O4S MolecularWeight: 417.52178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(CCSC)C(=O)N3CCCC3C(=O)O)C

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=C2)C(=O)NC(CCSC)C(=O)N3CCCC3C(=O)O)C

InChI

InChI=1S/C21H27N3O4S/c1-13-6-7-16-14(11-13)12-18(23(16)2)19(25)22-15(8-10-29-3)20(26)24-9-4-5-17(24)21(27)28/h6-7,11-12,15,17H,4-5,8-10H2,1-3H3,(H,22,25)(H,27,28)