methyl (2S)-2-[[3-(aminocarbonylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[3-(aminocarbonylamino)phenyl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-4-methylsulfanyl-2-[(3-ureidobenzoyl)amino]butanoate CAS Name: (2S)-2-[[[3-(carbamoylamino)phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-(carbamoylamino)benzoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-4-(methylthio)-2-[(3-ureidobenzoyl)amino]butyric acid methyl ester Formula: C14H19N3O4S MolecularWeight: 325.38336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O4S/c1-21-13(19)11(6-7-22-2)17-12(18)9-4-3-5-10(8-9)16-14(15)20/h3-5,8,11H,6-7H2,1-2H3,(H,17,18)(H3,15,16,20)/t11-/m0/s1