3-methyl-2-[[1-(3-methyl-2-sulfanyl-butanoyl)-3-(phenylmethyl)pyrrolidin-2-yl]carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[1-(3-methyl-2-sulfanyl-butanoyl)-3-(phenylmethyl)pyrrolidin-2-yl]carbonylamino]butanoic acid Openeye Name: 2-[[3-benzyl-1-(3-methyl-2-sulfanyl-butanoyl)pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[1-(2-mercapto-3-methyl-1-oxobutyl)-3-(phenylmethyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[3-benzyl-1-(3-methyl-2-sulfanylbutanoyl)pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[3-benzyl-1-(2-mercapto-3-methyl-butanoyl)prolyl]amino]-3-methyl-butyric acid Formula: C22H32N2O4S MolecularWeight: 420.56548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1C(CCN1C(=O)C(C(C)C)S)CC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1C(CCN1C(=O)C(C(C)C)S)CC2=CC=CC=C2

InChI

InChI=1S/C22H32N2O4S/c1-13(2)17(22(27)28)23-20(25)18-16(12-15-8-6-5-7-9-15)10-11-24(18)21(26)19(29)14(3)4/h5-9,13-14,16-19,29H,10-12H2,1-4H3,(H,23,25)(H,27,28)