(2R)-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]-4-sulfanyl-butanoic acid

Systemtic Name: (2R)-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]-4-sulfanyl-butanoic acid Openeye Name: (2R)-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]-4-sulfanyl-butanoic acid CAS Name: (2R)-4-mercapto-2-[[(2S)-1-oxo-2-[(1-oxo-3-phenylpropyl)amino]-3-phenylpropyl]amino]butanoic acid IUPAC Name: (2R)-2-[[(2S)-3-phenyl-2-(3-phenylpropanoylamino)propanoyl]amino]-4-sulfanylbutanoic acid Traditional Name: (2R)-2-[[(2S)-2-(hydrocinnamoylamino)-3-phenyl-propanoyl]amino]-4-mercapto-butyric acid Formula: C22H26N2O4S MolecularWeight: 414.51784

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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(CCS)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S/c25-20(12-11-16-7-3-1-4-8-16)23-19(15-17-9-5-2-6-10-17)21(26)24-18(13-14-29)22(27)28/h1-10,18-19,29H,11-15H2,(H,23,25)(H,24,26)(H,27,28)/t18-,19+/m1/s1