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

Systemtic Name: 2-[[2-(aminocarbonylamino)-4-methylsulfanyl-butanoyl]amino]-2-cyclopropyl-propanoic acid Openeye Name: 2-cyclopropyl-2-[(4-methylsulfanyl-2-ureido-butanoyl)amino]propanoic acid CAS Name: 2-[[2-(carbamoylamino)-4-(methylthio)-1-oxobutyl]amino]-2-cyclopropylpropanoic acid IUPAC Name: 2-[[2-(carbamoylamino)-4-methylsulfanylbutanoyl]amino]-2-cyclopropylpropanoic acid Traditional Name: 2-cyclopropyl-2-[[4-(methylthio)-2-ureido-butanoyl]amino]propionic acid Formula: C12H21N3O4S MolecularWeight: 303.37784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)(C(=O)O)NC(=O)C(CCSC)NC(=O)N

Isomeric SMILES

CC(C1CC1)(C(=O)O)NC(=O)C(CCSC)NC(=O)N

InChI

InChI=1S/C12H21N3O4S/c1-12(10(17)18,7-3-4-7)15-9(16)8(5-6-20-2)14-11(13)19/h7-8H,3-6H2,1-2H3,(H,15,16)(H,17,18)(H3,13,14,19)