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

Systemtic Name: 3-methyl-2-[[2-(2-phenylazanylpropanoylamino)-3-sulfanyl-propanoyl]amino]butanoic acid Openeye Name: 2-[[2-(2-anilinopropanoylamino)-3-sulfanyl-propanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[(2-anilino-1-oxopropyl)amino]-3-mercapto-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-(2-anilinopropanoylamino)-3-sulfanylpropanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-(2-anilinopropanoylamino)-3-mercapto-propanoyl]amino]-3-methyl-butyric acid Formula: C17H25N3O4S MolecularWeight: 367.4631

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C(CS)NC(=O)C(C)NC1=CC=CC=C1

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C(CS)NC(=O)C(C)NC1=CC=CC=C1

InChI

InChI=1S/C17H25N3O4S/c1-10(2)14(17(23)24)20-16(22)13(9-25)19-15(21)11(3)18-12-7-5-4-6-8-12/h4-8,10-11,13-14,18,25H,9H2,1-3H3,(H,19,21)(H,20,22)(H,23,24)