2-[[1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: 2-[[1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: 2-[[1-(3-acetylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid CAS Name: 2-[[[1-[3-(acetylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: 2-[[1-(3-acetylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: 2-[[1-[3-(acetylthio)-2-methyl-propanoyl]prolyl]amino]-3-(1H-indol-3-yl)propionic acid Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C22H27N3O5S/c1-13(12-31-14(2)26)21(28)25-9-5-8-19(25)20(27)24-18(22(29)30)10-15-11-23-17-7-4-3-6-16(15)17/h3-4,6-7,11,13,18-19,23H,5,8-10,12H2,1-2H3,(H,24,27)(H,29,30)