7-[[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]heptanoic acid

Systemtic Name: 7-[[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]heptanoic acid Openeye Name: 7-[(4-methylsulfanyl-2-ureido-butanoyl)amino]heptanoic acid CAS Name: 7-[[2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]amino]heptanoic acid IUPAC Name: 7-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]heptanoic acid Traditional Name: 7-[[4-(methylthio)-2-ureido-butanoyl]amino]enanthic acid Formula: C13H25N3O4S MolecularWeight: 319.4203

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NCCCCCCC(=O)O)NC(=O)N

Isomeric SMILES

CSCCC(C(=O)NCCCCCCC(=O)O)NC(=O)N

InChI

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