3-(4-hydroxyphenyl)-2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid

Systemtic Name: 3-(4-hydroxyphenyl)-2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoic acid CAS Name: 3-(4-hydroxyphenyl)-2-[[4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]propanoic acid IUPAC Name: 3-(4-hydroxyphenyl)-2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]-3-(4-hydroxyphenyl)propionic acid Formula: C22H26N2O6S MolecularWeight: 446.51664

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O6S/c1-31-12-11-18(24-22(29)30-14-16-5-3-2-4-6-16)20(26)23-19(21(27)28)13-15-7-9-17(25)10-8-15/h2-10,18-19,25H,11-14H2,1H3,(H,23,26)(H,24,29)(H,27,28)