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

Systemtic Name: 2-[[1-[2-methyl-3-[(phenylmethyl)disulfanyl]propanoyl]pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-[3-(benzyldisulfanyl)-2-methyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[2-methyl-1-oxo-3-[(phenylmethyl)disulfanyl]propyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-[3-(benzyldisulfanyl)-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-[3-(benzyldisulfanyl)-2-methyl-propanoyl]prolyl]amino]-3-phenyl-propionic acid Formula: C25H30N2O4S2 MolecularWeight: 486.6467

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSSCC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(CSSCC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C25H30N2O4S2/c1-18(16-32-33-17-20-11-6-3-7-12-20)24(29)27-14-8-13-22(27)23(28)26-21(25(30)31)15-19-9-4-2-5-10-19/h2-7,9-12,18,21-22H,8,13-17H2,1H3,(H,26,28)(H,30,31)