[2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-(3-methyl-4-pyrrolidin-1-yl-anilino)-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-[3-methyl-4-(1-pyrrolidinyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methyl-4-pyrrolidin-1-ylanilino)-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-keto-2-(3-methyl-4-pyrrolidino-anilino)ethyl] ester Formula: C19H28N4O4S MolecularWeight: 408.51502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)COC(=O)C(CCSC)NC(=O)N)N2CCCC2

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)COC(=O)[C@H](CCSC)NC(=O)N)N2CCCC2

InChI

InChI=1S/C19H28N4O4S/c1-13-11-14(5-6-16(13)23-8-3-4-9-23)21-17(24)12-27-18(25)15(7-10-28-2)22-19(20)26/h5-6,11,15H,3-4,7-10,12H2,1-2H3,(H,21,24)(H3,20,22,26)/t15-/m0/s1