(2R)-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-3-mercapto-2-[[(2S)-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]-3-phenylpropyl]amino]propanoic acid IUPAC Name: (2R)-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S)-2-(hydrocinnamoylamino)-3-phenyl-propanoyl]amino]-3-mercapto-propionic acid Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC(CC2=CC=CC=C2)C(=O)NC(CS)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CS)C(=O)O

InChI

InChI=1S/C21H24N2O4S/c24-19(12-11-15-7-3-1-4-8-15)22-17(13-16-9-5-2-6-10-16)20(25)23-18(14-28)21(26)27/h1-10,17-18,28H,11-14H2,(H,22,24)(H,23,25)(H,26,27)/t17-,18-/m0/s1