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

Systemtic Name: 2-[[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]hexanoic acid Openeye Name: 2-[(4-methylsulfanyl-2-ureido-butanoyl)amino]hexanoic acid CAS Name: 2-[[2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]amino]hexanoic acid IUPAC Name: 2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]hexanoic acid Traditional Name: 2-[[4-(methylthio)-2-ureido-butanoyl]amino]hexanoic acid Formula: C12H23N3O4S MolecularWeight: 305.39372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)C(CCSC)NC(=O)N

InChI

InChI=1S/C12H23N3O4S/c1-3-4-5-9(11(17)18)14-10(16)8(6-7-20-2)15-12(13)19/h8-9H,3-7H2,1-2H3,(H,14,16)(H,17,18)(H3,13,15,19)