methyl 3-[[(2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]-4-methyl-benzoate

Systemtic Name: methyl 3-[[(2S)-2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]-4-methyl-benzoate Openeye Name: methyl 4-methyl-3-[[(2S)-4-methylsulfanyl-2-ureido-butanoyl]amino]benzoate CAS Name: 3-[[(2S)-2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]amino]-4-methylbenzoic acid methyl ester IUPAC Name: methyl 3-[[(2S)-2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-4-methylbenzoate Traditional Name: 4-methyl-3-[[(2S)-4-(methylthio)-2-ureido-butanoyl]amino]benzoic acid methyl ester Formula: C15H21N3O4S MolecularWeight: 339.40994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)[C@H](CCSC)NC(=O)N

InChI

InChI=1S/C15H21N3O4S/c1-9-4-5-10(14(20)22-2)8-12(9)17-13(19)11(6-7-23-3)18-15(16)21/h4-5,8,11H,6-7H2,1-3H3,(H,17,19)(H3,16,18,21)/t11-/m0/s1