2-[[2-(aminocarbonylamino)-3-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(aminocarbonylamino)-3-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[(3-methyl-2-ureido-pentanoyl)amino]butanoic acid CAS Name: 2-[[2-(carbamoylamino)-3-methyl-1-oxopentyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[(3-methyl-2-ureido-pentanoyl)amino]butyric acid Formula: C12H23N3O4S MolecularWeight: 305.39372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H23N3O4S/c1-4-7(2)9(15-12(13)19)10(16)14-8(11(17)18)5-6-20-3/h7-9H,4-6H2,1-3H3,(H,14,16)(H,17,18)(H3,13,15,19)