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

Systemtic Name: 2-[[1-(2-methyl-3-phenylmethoxycarbonylsulfanyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: 2-[[1-(3-benzyloxycarbonylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[[1-[2-methyl-1-oxo-3-(phenylmethoxycarbonylthio)propyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[1-(2-methyl-3-phenylmethoxycarbonylsulfanylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[1-[3-(carbobenzoxythio)-2-methyl-propanoyl]prolyl]amino]-3-phenyl-propionic acid Formula: C26H30N2O6S MolecularWeight: 498.5912

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)OCC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(CSC(=O)OCC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C26H30N2O6S/c1-18(17-35-26(33)34-16-20-11-6-3-7-12-20)24(30)28-14-8-13-22(28)23(29)27-21(25(31)32)15-19-9-4-2-5-10-19/h2-7,9-12,18,21-22H,8,13-17H2,1H3,(H,27,29)(H,31,32)