(3R)-4-[2-(4-fluorophenyl)ethylamino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-1-(2-naphthalen-2-ylethylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]cyclohexyl]carbonylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3R)-4-[2-(4-fluorophenyl)ethylamino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-1-(2-naphthalen-2-ylethylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]cyclohexyl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: (3R)-4-[2-(4-fluorophenyl)ethylamino]-3-[[(2S)-2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-[2-(2-naphthyl)ethylamino]-2-oxo-ethyl]carbamoyl]cyclohexanecarbonyl]amino]-4-oxo-butanoic acid CAS Name: (3R)-4-[2-(4-fluorophenyl)ethylamino]-3-[[[(2S)-2-[[[(2S)-3-(1H-indol-3-yl)-1-[2-(2-naphthalenyl)ethylamino]-1-oxopropan-2-yl]amino]-oxomethyl]cyclohexyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: (3R)-4-[2-(4-fluorophenyl)ethylamino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-1-(2-naphthalen-2-ylethylamino)-1-oxopropan-2-yl]carbamoyl]cyclohexanecarbonyl]amino]-4-oxobutanoic acid Traditional Name: (3R)-4-[2-(4-fluorophenyl)ethylamino]-3-[[(2S)-2-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-[2-(2-naphthyl)ethylamino]ethyl]carbamoyl]cyclohexanecarbonyl]amino]-4-keto-butyric acid Formula: C43H46FN5O6 MolecularWeight: 747.853643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCCC4=CC5=CC=CC=C5C=C4)C(=O)NC(CC(=O)O)C(=O)NCCC6=CC=C(C=C6)F

Isomeric SMILES

C1CCC([C@H](C1)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCCC4=CC5=CC=CC=C5C=C4)C(=O)N[C@H](CC(=O)O)C(=O)NCCC6=CC=C(C=C6)F

InChI

InChI=1S/C43H46FN5O6/c44-32-17-14-27(15-18-32)19-21-45-43(55)38(25-39(50)51)49-41(53)35-11-4-3-10-34(35)40(52)48-37(24-31-26-47-36-12-6-5-9-33(31)36)42(54)46-22-20-28-13-16-29-7-1-2-8-30(29)23-28/h1-2,5-9,12-18,23,26,34-35,37-38,47H,3-4,10-11,19-22,24-25H2,(H,45,55)(H,46,54)(H,48,52)(H,49,53)(H,50,51)/t34-,35?,37-,38+/m0/s1