4-oxidanylidene-4-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]butanoic acid

Systemtic Name: 4-oxidanylidene-4-[(1-oxidanyl-3-phenyl-propan-2-yl)amino]-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]butanoic acid Openeye Name: 4-[(1-benzyl-2-hydroxy-ethyl)amino]-4-oxo-3-[(3-phenyl-2-sulfanyl-propanoyl)amino]butanoic acid CAS Name: 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-3-[(2-mercapto-1-oxo-3-phenylpropyl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(1-hydroxy-3-phenylpropan-2-yl)amino]-4-oxo-3-[(3-phenyl-2-sulfanylpropanoyl)amino]butanoic acid Traditional Name: 4-[(1-benzyl-2-hydroxy-ethyl)amino]-4-keto-3-[(2-mercapto-3-phenyl-propanoyl)amino]butyric acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(CO)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CC=CC=C2)S

Isomeric SMILES

C1=CC=C(C=C1)CC(CO)NC(=O)C(CC(=O)O)NC(=O)C(CC2=CC=CC=C2)S

InChI

InChI=1S/C22H26N2O5S/c25-14-17(11-15-7-3-1-4-8-15)23-21(28)18(13-20(26)27)24-22(29)19(30)12-16-9-5-2-6-10-16/h1-10,17-19,25,30H,11-14H2,(H,23,28)(H,24,29)(H,26,27)