1-[(2R)-2-[[(2R)-2-[[(2S)-2-azanyl-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-naphthalen-2-yl-propanoyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2R)-2-[[(2R)-2-[[(2S)-2-azanyl-3-[2,3,4,5,6-pentakis(fluoranyl)phenyl]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-naphthalen-2-yl-propanoyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(2-naphthyl)propanoyl]piperidine-4-carboxylic acid CAS Name: 1-[(2R)-2-[[(2R)-2-[[(2S)-2-amino-1-oxo-3-(2,3,4,5,6-pentafluorophenyl)propyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]-3-(2-naphthalenyl)-1-oxopropyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-naphthalen-2-ylpropanoyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2R)-2-[[(2R)-2-[[(2S)-2-amino-3-(2,3,4,5,6-pentafluorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(2-naphthyl)propanoyl]isonipecotic acid Formula: C39H36F5N5O5 MolecularWeight: 749.725656

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(=O)C(CC2=CC3=CC=CC=C3C=C2)NC(=O)C(CC4=CNC5=CC=CC=C54)NC(=O)C(CC6=C(C(=C(C(=C6F)F)F)F)F)N

Isomeric SMILES

C1CN(CCC1C(=O)O)C(=O)[C@@H](CC2=CC3=CC=CC=C3C=C2)NC(=O)[C@@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=C(C(=C(C(=C6F)F)F)F)F)N

InChI

InChI=1S/C39H36F5N5O5/c40-31-26(32(41)34(43)35(44)33(31)42)18-27(45)36(50)47-29(17-24-19-46-28-8-4-3-7-25(24)28)37(51)48-30(38(52)49-13-11-22(12-14-49)39(53)54)16-20-9-10-21-5-1-2-6-23(21)15-20/h1-10,15,19,22,27,29-30,46H,11-14,16-18,45H2,(H,47,50)(H,48,51)(H,53,54)/t27-,29+,30+/m0/s1