(phenylmethyl) 2-[[1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: (phenylmethyl) 2-[[1-(3-ethanoylsulfanyl-2-methyl-propanoyl)pyrrolidin-2-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: benzyl 2-[[1-(3-acetylsulfanyl-2-methyl-propanoyl)pyrrolidine-2-carbonyl]amino]-3-phenyl-propanoate CAS Name: 2-[[[1-[3-(acetylthio)-2-methyl-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-phenylpropanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[1-(3-acetylsulfanyl-2-methylpropanoyl)pyrrolidine-2-carbonyl]amino]-3-phenylpropanoate Traditional Name: 2-[[1-[3-(acetylthio)-2-methyl-propanoyl]prolyl]amino]-3-phenyl-propionic acid benzyl ester Formula: C27H32N2O5S MolecularWeight: 496.61838

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C27H32N2O5S/c1-19(18-35-20(2)30)26(32)29-15-9-14-24(29)25(31)28-23(16-21-10-5-3-6-11-21)27(33)34-17-22-12-7-4-8-13-22/h3-8,10-13,19,23-24H,9,14-18H2,1-2H3,(H,28,31)