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

Systemtic Name: [2-[(4-methoxyphenyl)methylamino]-2-oxidanylidene-ethyl] (2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoate Openeye Name: [2-[(4-methoxyphenyl)methylamino]-2-oxo-ethyl] (2S)-4-methylsulfanyl-2-ureido-butanoate CAS Name: (2S)-2-(carbamoylamino)-4-(methylthio)butanoic acid [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] (2S)-2-(carbamoylamino)-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-ureido-butyric acid [2-keto-2-(p-anisylamino)ethyl] ester Formula: C16H23N3O5S MolecularWeight: 369.43592

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)COC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)COC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C16H23N3O5S/c1-23-12-5-3-11(4-6-12)9-18-14(20)10-24-15(21)13(7-8-25-2)19-16(17)22/h3-6,13H,7-10H2,1-2H3,(H,18,20)(H3,17,19,22)/t13-/m0/s1