(2R)-2-[[2-[(2-hydroxyphenyl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-[(2-hydroxyphenyl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[(2-hydroxybenzoyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[[(2-hydroxyphenyl)-oxomethyl]amino]-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(2-hydroxybenzoyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[4-mercapto-2-(salicyloylamino)butanoyl]amino]-3-phenyl-propionic acid Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC=CC=C2O

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC=CC=C2O

InChI

InChI=1S/C20H22N2O5S/c23-17-9-5-4-8-14(17)18(24)21-15(10-11-28)19(25)22-16(20(26)27)12-13-6-2-1-3-7-13/h1-9,15-16,23,28H,10-12H2,(H,21,24)(H,22,25)(H,26,27)/t15?,16-/m1/s1