2-[2-[[2-(aminocarbonylamino)-3-methyl-pentanoyl]amino]-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-[[2-(aminocarbonylamino)-3-methyl-pentanoyl]amino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[(3-methyl-2-ureido-pentanoyl)amino]thiazol-4-yl]acetic acid CAS Name: 2-[2-[[2-(carbamoylamino)-3-methyl-1-oxopentyl]amino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[[2-(carbamoylamino)-3-methylpentanoyl]amino]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[(3-methyl-2-ureido-pentanoyl)amino]thiazol-4-yl]acetic acid Formula: C12H18N4O4S MolecularWeight: 314.36072

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC1=NC(=CS1)CC(=O)O)NC(=O)N

Isomeric SMILES

CCC(C)C(C(=O)NC1=NC(=CS1)CC(=O)O)NC(=O)N

InChI

InChI=1S/C12H18N4O4S/c1-3-6(2)9(15-11(13)20)10(19)16-12-14-7(5-21-12)4-8(17)18/h5-6,9H,3-4H2,1-2H3,(H,17,18)(H3,13,15,20)(H,14,16,19)