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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N(CC1CC1)CC(=O)O)NC(=O)N

Isomeric SMILES

CSCCC(C(=O)N(CC1CC1)CC(=O)O)NC(=O)N

InChI

InChI=1S/C12H21N3O4S/c1-20-5-4-9(14-12(13)19)11(18)15(7-10(16)17)6-8-2-3-8/h8-9H,2-7H2,1H3,(H,16,17)(H3,13,14,19)