3-[[2-[(2-benzamido-3-sulfanyl-propanoyl)amino]-3-methyl-butanoyl]amino]propanoic acid

Systemtic Name: 3-[[2-[(2-benzamido-3-sulfanyl-propanoyl)amino]-3-methyl-butanoyl]amino]propanoic acid Openeye Name: 3-[[2-[(2-benzamido-3-sulfanyl-propanoyl)amino]-3-methyl-butanoyl]amino]propanoic acid CAS Name: 3-[[2-[(2-benzamido-3-mercapto-1-oxopropyl)amino]-3-methyl-1-oxobutyl]amino]propanoic acid IUPAC Name: 3-[[2-[(2-benzamido-3-sulfanylpropanoyl)amino]-3-methylbutanoyl]amino]propanoic acid Traditional Name: 3-[[2-[(2-benzamido-3-mercapto-propanoyl)amino]-3-methyl-butanoyl]amino]propionic acid Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25N3O5S/c1-11(2)15(18(26)19-9-8-14(22)23)21-17(25)13(10-27)20-16(24)12-6-4-3-5-7-12/h3-7,11,13,15,27H,8-10H2,1-2H3,(H,19,26)(H,20,24)(H,21,25)(H,22,23)