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

Systemtic Name: (2R)-2-[[2-[(3-hydroxyphenyl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[(3-hydroxybenzoyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[[(3-hydroxyphenyl)-oxomethyl]amino]-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(3-hydroxybenzoyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-[(3-hydroxybenzoyl)amino]-4-mercapto-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=C2)O

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O5S/c23-15-8-4-7-14(12-15)18(24)21-16(9-10-28)19(25)22-17(20(26)27)11-13-5-2-1-3-6-13/h1-8,12,16-17,23,28H,9-11H2,(H,21,24)(H,22,25)(H,26,27)/t16?,17-/m1/s1