[2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-oxidanylidene-2-[(4-pyrrolidin-1-ylphenyl)amino]ethyl] (2R)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] (2R)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2R)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-oxo-2-[4-(1-pyrrolidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] (2R)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2R)-4-(methylthio)-2-ureido-butyric acid [2-keto-2-(4-pyrrolidinoanilino)ethyl] ester Formula: C18H26N4O4S MolecularWeight: 394.48844

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=CC=C(C=C1)N2CCCC2)NC(=O)N

Isomeric SMILES

CSCC[C@H](C(=O)OCC(=O)NC1=CC=C(C=C1)N2CCCC2)NC(=O)N

InChI

InChI=1S/C18H26N4O4S/c1-27-11-8-15(21-18(19)25)17(24)26-12-16(23)20-13-4-6-14(7-5-13)22-9-2-3-10-22/h4-7,15H,2-3,8-12H2,1H3,(H,20,23)(H3,19,21,25)/t15-/m1/s1