(3S)-4-[2-(4-fluorophenyl)ethoxy]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: (3S)-4-[2-(4-fluorophenyl)ethoxy]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methyl-pentanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[2-(4-fluorophenyl)ethoxy]-4-oxo-butanoic acid CAS Name: (3S)-4-[2-(4-fluorophenyl)ethoxy]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropyl]amino]-4-methyl-1-oxopentyl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-4-[2-(4-fluorophenyl)ethoxy]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-[[(2S)-2-[[(2S)-2-(tert-butoxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]-4-methyl-pentanoyl]amino]-4-[2-(4-fluorophenyl)ethoxy]-4-keto-butyric acid Formula: C34H43FN4O8 MolecularWeight: 654.725623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)OCCC1=CC=C(C=C1)F)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)OCCC1=CC=C(C=C1)F)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)OC(C)(C)C

InChI

InChI=1S/C34H43FN4O8/c1-20(2)16-26(30(42)38-28(18-29(40)41)32(44)46-15-14-21-10-12-23(35)13-11-21)37-31(43)27(39-33(45)47-34(3,4)5)17-22-19-36-25-9-7-6-8-24(22)25/h6-13,19-20,26-28,36H,14-18H2,1-5H3,(H,37,43)(H,38,42)(H,39,45)(H,40,41)/t26-,27-,28-/m0/s1