4-methyl-2-[[3-phenyl-2-[(2-sulfanylphenyl)carbonylamino]propanoyl]amino]pentanoic acid

Systemtic Name: 4-methyl-2-[[3-phenyl-2-[(2-sulfanylphenyl)carbonylamino]propanoyl]amino]pentanoic acid Openeye Name: 4-methyl-2-[[3-phenyl-2-[(2-sulfanylbenzoyl)amino]propanoyl]amino]pentanoic acid CAS Name: 2-[[2-[[(2-mercaptophenyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-4-methylpentanoic acid IUPAC Name: 4-methyl-2-[[3-phenyl-2-[(2-sulfanylbenzoyl)amino]propanoyl]amino]pentanoic acid Traditional Name: 2-[[2-[(2-mercaptobenzoyl)amino]-3-phenyl-propanoyl]amino]-4-methyl-valeric acid Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2S

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2=CC=CC=C2S

InChI

InChI=1S/C22H26N2O4S/c1-14(2)12-18(22(27)28)24-21(26)17(13-15-8-4-3-5-9-15)23-20(25)16-10-6-7-11-19(16)29/h3-11,14,17-18,29H,12-13H2,1-2H3,(H,23,25)(H,24,26)(H,27,28)