2-[(2-azanyl-3-thiophen-2-yl-propanoyl)amino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: 2-[(2-azanyl-3-thiophen-2-yl-propanoyl)amino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[[2-amino-3-(2-thienyl)propanoyl]amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[(2-amino-1-oxo-3-thiophen-2-ylpropyl)amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[(2-amino-3-thiophen-2-ylpropanoyl)amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[[2-amino-3-(2-thienyl)propanoyl]amino]-3-mercapto-3-methyl-butyric acid Formula: C12H18N2O3S2 MolecularWeight: 302.41292

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC(=O)C(CC1=CC=CS1)N)S

Isomeric SMILES

CC(C)(C(C(=O)O)NC(=O)C(CC1=CC=CS1)N)S

InChI

InChI=1S/C12H18N2O3S2/c1-12(2,18)9(11(16)17)14-10(15)8(13)6-7-4-3-5-19-7/h3-5,8-9,18H,6,13H2,1-2H3,(H,14,15)(H,16,17)