[2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-dimethylaminophenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-[[4-(dimethylamino)benzyl]amino]-2-keto-ethyl] ester Formula: C17H26N4O4S MolecularWeight: 382.47774

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)CNC(=O)COC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CN(C)C1=CC=C(C=C1)CNC(=O)COC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C17H26N4O4S/c1-21(2)13-6-4-12(5-7-13)10-19-15(22)11-25-16(23)14(8-9-26-3)20-17(18)24/h4-7,14H,8-11H2,1-3H3,(H,19,22)(H3,18,20,24)/t14-/m0/s1