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

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propanoyl)-(2-phenylethanoyl)amino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: 2-[(2-amino-3-sulfanyl-propanoyl)-(2-phenylacetyl)amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: 2-[(2-amino-3-mercapto-1-oxopropyl)-(1-oxo-2-phenylethyl)amino]-3-mercapto-3-methylbutanoic acid IUPAC Name: 2-[(2-amino-3-sulfanylpropanoyl)-(2-phenylacetyl)amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: 2-[(2-amino-3-mercapto-propanoyl)-(2-phenylacetyl)amino]-3-mercapto-3-methyl-butyric acid Formula: C16H22N2O4S2 MolecularWeight: 370.48688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)N(C(=O)CC1=CC=CC=C1)C(=O)C(CS)N)S

Isomeric SMILES

CC(C)(C(C(=O)O)N(C(=O)CC1=CC=CC=C1)C(=O)C(CS)N)S

InChI

InChI=1S/C16H22N2O4S2/c1-16(2,24)13(15(21)22)18(14(20)11(17)9-23)12(19)8-10-6-4-3-5-7-10/h3-7,11,13,23-24H,8-9,17H2,1-2H3,(H,21,22)