methyl 6-[[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]hexanoate

Systemtic Name: methyl 6-[[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]hexanoate Openeye Name: methyl 6-[(4-methylsulfanyl-2-ureido-butanoyl)amino]hexanoate CAS Name: 6-[[2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]hexanoate Traditional Name: 6-[[4-(methylthio)-2-ureido-butanoyl]amino]hexanoic acid methyl ester Formula: C13H25N3O4S MolecularWeight: 319.4203

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCNC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

COC(=O)CCCCCNC(=O)C(CCSC)NC(=O)N

InChI

InChI=1S/C13H25N3O4S/c1-20-11(17)6-4-3-5-8-15-12(18)10(7-9-21-2)16-13(14)19/h10H,3-9H2,1-2H3,(H,15,18)(H3,14,16,19)