(2S)-2-[[(2R)-2-[(1R)-5-bromanyl-2,3-dihydro-1H-inden-1-yl]-3-sulfanyl-propanoyl]amino]-2-(3-phenylphenyl)ethanoic acid

Systemtic Name: (2S)-2-[[(2R)-2-[(1R)-5-bromanyl-2,3-dihydro-1H-inden-1-yl]-3-sulfanyl-propanoyl]amino]-2-(3-phenylphenyl)ethanoic acid Openeye Name: (2S)-2-[[(2R)-2-[(1R)-5-bromoindan-1-yl]-3-sulfanyl-propanoyl]amino]-2-(3-phenylphenyl)acetic acid CAS Name: (2S)-2-[[(2R)-2-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]-3-mercapto-1-oxopropyl]amino]-2-(3-phenylphenyl)acetic acid IUPAC Name: (2S)-2-[[(2R)-2-[(1R)-5-bromo-2,3-dihydro-1H-inden-1-yl]-3-sulfanylpropanoyl]amino]-2-(3-phenylphenyl)acetic acid Traditional Name: (2S)-2-[[(2R)-2-[(1R)-5-bromoindan-1-yl]-3-mercapto-propanoyl]amino]-2-(3-phenylphenyl)acetic acid Formula: C26H24BrNO3S MolecularWeight: 510.44266

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1C(CS)C(=O)NC(C3=CC=CC(=C3)C4=CC=CC=C4)C(=O)O)C=CC(=C2)Br

Isomeric SMILES

C1CC2=C([C@H]1[C@@H](CS)C(=O)N[C@@H](C3=CC=CC(=C3)C4=CC=CC=C4)C(=O)O)C=CC(=C2)Br

InChI

InChI=1S/C26H24BrNO3S/c27-20-10-12-21-18(14-20)9-11-22(21)23(15-32)25(29)28-24(26(30)31)19-8-4-7-17(13-19)16-5-2-1-3-6-16/h1-8,10,12-14,22-24,32H,9,11,15H2,(H,28,29)(H,30,31)/t22-,23+,24-/m0/s1