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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N3O4S/c1-4-6-12(2,10(17)18)15-9(16)8(5-7-20-3)14-11(13)19/h8H,4-7H2,1-3H3,(H,15,16)(H,17,18)(H3,13,14,19)