methyl (2S)-3-(1H-indol-3-yl)-2-[[(2S,5S)-5-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]-1-pyridin-4-yl-pyrrolidin-2-yl]carbonylamino]propanoate

Systemtic Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[(2S,5S)-5-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxidanylidene-propan-2-yl]carbamoyl]-1-pyridin-4-yl-pyrrolidin-2-yl]carbonylamino]propanoate Openeye Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[(2S,5S)-5-[[(1S)-1-(1H-indol-3-ylmethyl)-2-methoxy-2-oxo-ethyl]carbamoyl]-1-(4-pyridyl)pyrrolidine-2-carbonyl]amino]propanoate CAS Name: (2S)-3-(1H-indol-3-yl)-2-[[[(2S,5S)-5-[[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]amino]-oxomethyl]-1-pyridin-4-yl-2-pyrrolidinyl]-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-(1H-indol-3-yl)-2-[[(2S,5S)-5-[[(2S)-3-(1H-indol-3-yl)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-1-pyridin-4-ylpyrrolidine-2-carbonyl]amino]propanoate Traditional Name: (2S)-3-(1H-indol-3-yl)-2-[[(2S,5S)-5-[[(1S)-1-(1H-indol-3-ylmethyl)-2-keto-2-methoxy-ethyl]carbamoyl]-1-(4-pyridyl)prolyl]amino]propionic acid methyl ester Formula: C35H36N6O6 MolecularWeight: 636.69694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C3CCC(N3C4=CC=NC=C4)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)OC

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@@H]3CC[C@H](N3C4=CC=NC=C4)C(=O)N[C@@H](CC5=CNC6=CC=CC=C65)C(=O)OC

InChI

InChI=1S/C35H36N6O6/c1-46-34(44)28(17-21-19-37-26-9-5-3-7-24(21)26)39-32(42)30-11-12-31(41(30)23-13-15-36-16-14-23)33(43)40-29(35(45)47-2)18-22-20-38-27-10-6-4-8-25(22)27/h3-10,13-16,19-20,28-31,37-38H,11-12,17-18H2,1-2H3,(H,39,42)(H,40,43)/t28-,29-,30-,31-/m0/s1