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

Systemtic Name: 2-[[1-(3-methyl-2-sulfanyl-butanoyl)-3-(phenylmethyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[3-benzyl-1-(3-methyl-2-sulfanyl-butanoyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-(2-mercapto-3-methyl-1-oxobutyl)-3-(phenylmethyl)-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[3-benzyl-1-(3-methyl-2-sulfanylbutanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[3-benzyl-1-(2-mercapto-3-methyl-butanoyl)prolyl]amino]-3-phenyl-propionic acid Formula: C26H32N2O4S MolecularWeight: 468.60828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCC(C1C(=O)NC(CC2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3)S

Isomeric SMILES

CC(C)C(C(=O)N1CCC(C1C(=O)NC(CC2=CC=CC=C2)C(=O)O)CC3=CC=CC=C3)S

InChI

InChI=1S/C26H32N2O4S/c1-17(2)23(33)25(30)28-14-13-20(15-18-9-5-3-6-10-18)22(28)24(29)27-21(26(31)32)16-19-11-7-4-8-12-19/h3-12,17,20-23,33H,13-16H2,1-2H3,(H,27,29)(H,31,32)