(2R)-2-[[(2R)-2-[[(2S)-2-[[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2,3-bis(chloranyl)phenyl]propanoic acid

Systemtic Name: (2R)-2-[[(2R)-2-[[(2S)-2-[[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]carbonylamino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-[2,3-bis(chloranyl)phenyl]propanoic acid Openeye Name: (2R)-2-[[(2R)-2-[[(2S)-2-[[(1R,5S)-3-azabicyclo[3.2.1]octane-3-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(2,3-dichlorophenyl)propanoic acid CAS Name: (2R)-2-[[(2R)-2-[[(2S)-2-[[[(1R,5S)-3-azabicyclo[3.2.1]octan-3-yl]-oxomethyl]amino]-4-methyl-1-oxopentyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-(2,3-dichlorophenyl)propanoic acid IUPAC Name: (2R)-2-[[(2R)-2-[[(2S)-2-[[(1R,5S)-3-azabicyclo[3.2.1]octane-3-carbonyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(2,3-dichlorophenyl)propanoic acid Traditional Name: (2R)-2-[[(2R)-2-[[(2S)-2-[[(1R,5S)-3-azabicyclo[3.2.1]octane-3-carbonyl]amino]-4-methyl-pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(2,3-dichlorophenyl)propionic acid Formula: C34H41Cl2N5O5 MolecularWeight: 670.62584

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CC3=C(C(=CC=C3)Cl)Cl)C(=O)O)NC(=O)N4CC5CCC(C5)C4

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CC3=C(C(=CC=C3)Cl)Cl)C(=O)O)NC(=O)N4C[C@@H]5CC[C@@H](C5)C4

InChI

InChI=1S/C34H41Cl2N5O5/c1-19(2)12-27(40-34(46)41-17-20-10-11-21(13-20)18-41)31(42)38-28(15-23-16-37-26-9-4-3-7-24(23)26)32(43)39-29(33(44)45)14-22-6-5-8-25(35)30(22)36/h3-9,16,19-21,27-29,37H,10-15,17-18H2,1-2H3,(H,38,42)(H,39,43)(H,40,46)(H,44,45)/t20-,21+,27-,28+,29+/m0/s1