(2R)-3-(4-acetamidophenyl)-2-[(2R)-2-benzamidopropanoyl]sulfanyl-propanoic acid

Systemtic Name: (2R)-3-(4-acetamidophenyl)-2-[(2R)-2-benzamidopropanoyl]sulfanyl-propanoic acid Openeye Name: (2R)-3-(4-acetamidophenyl)-2-[(2R)-2-benzamidopropanoyl]sulfanyl-propanoic acid CAS Name: (2R)-3-(4-acetamidophenyl)-2-[[(2R)-2-benzamido-1-oxopropyl]thio]propanoic acid IUPAC Name: (2R)-3-(4-acetamidophenyl)-2-[(2R)-2-benzamidopropanoyl]sulfanylpropanoic acid Traditional Name: (2R)-3-(4-acetamidophenyl)-2-[[(2R)-2-benzamidopropanoyl]thio]propionic acid Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)S[C@H](CC1=CC=C(C=C1)NC(=O)C)C(=O)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H22N2O5S/c1-13(22-19(25)16-6-4-3-5-7-16)21(28)29-18(20(26)27)12-15-8-10-17(11-9-15)23-14(2)24/h3-11,13,18H,12H2,1-2H3,(H,22,25)(H,23,24)(H,26,27)/t13-,18-/m1/s1