[2,5-bis(oxidanylidene)pyrrolidin-1-yl] (2R)-2-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-3-phenylsulfanyl-propanoate

Systemtic Name: [2,5-bis(oxidanylidene)pyrrolidin-1-yl] (2R)-2-[(2-methyl-3-oxidanyl-phenyl)carbonylamino]-3-phenylsulfanyl-propanoate Openeye Name: (2,5-dioxopyrrolidin-1-yl) (2R)-2-[(3-hydroxy-2-methyl-benzoyl)amino]-3-phenylsulfanyl-propanoate CAS Name: (2R)-2-[[(3-hydroxy-2-methylphenyl)-oxomethyl]amino]-3-(phenylthio)propanoic acid (2,5-dioxo-1-pyrrolidinyl) ester IUPAC Name: (2,5-dioxopyrrolidin-1-yl) (2R)-2-[(3-hydroxy-2-methylbenzoyl)amino]-3-phenylsulfanylpropanoate Traditional Name: (2R)-2-[(3-hydroxy-2-methyl-benzoyl)amino]-3-(phenylthio)propionic acid succinimido ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1O)C(=O)NC(CSC2=CC=CC=C2)C(=O)ON3C(=O)CCC3=O

Isomeric SMILES

CC1=C(C=CC=C1O)C(=O)N[C@@H](CSC2=CC=CC=C2)C(=O)ON3C(=O)CCC3=O

InChI

InChI=1S/C21H20N2O6S/c1-13-15(8-5-9-17(13)24)20(27)22-16(12-30-14-6-3-2-4-7-14)21(28)29-23-18(25)10-11-19(23)26/h2-9,16,24H,10-12H2,1H3,(H,22,27)/t16-/m0/s1