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

Systemtic Name: 4-methyl-2-[[1-(3-methyl-2-sulfanyl-butanoyl)-3-(phenylmethyl)pyrrolidin-2-yl]carbonylamino]pentanoic acid Openeye Name: 2-[[3-benzyl-1-(3-methyl-2-sulfanyl-butanoyl)pyrrolidine-2-carbonyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[[1-(2-mercapto-3-methyl-1-oxobutyl)-3-(phenylmethyl)-2-pyrrolidinyl]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[3-benzyl-1-(3-methyl-2-sulfanylbutanoyl)pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[3-benzyl-1-(2-mercapto-3-methyl-butanoyl)prolyl]amino]-4-methyl-valeric acid Formula: C23H34N2O4S MolecularWeight: 434.59206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H34N2O4S/c1-14(2)12-18(23(28)29)24-21(26)19-17(13-16-8-6-5-7-9-16)10-11-25(19)22(27)20(30)15(3)4/h5-9,14-15,17-20,30H,10-13H2,1-4H3,(H,24,26)(H,28,29)