ethyl 3-[[(3R,5S)-1-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(pyrazin-2-ylcarbonylamino)butanoyl]amino]butanoyl]-5-[[(2S)-1-oxidanylidenebutan-2-yl]carbamoyl]pyrrolidin-3-yl]oxycarbonylamino]benzoate

Systemtic Name: ethyl 3-[[(3R,5S)-1-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(pyrazin-2-ylcarbonylamino)butanoyl]amino]butanoyl]-5-[[(2S)-1-oxidanylidenebutan-2-yl]carbamoyl]pyrrolidin-3-yl]oxycarbonylamino]benzoate Openeye Name: ethyl 3-[[(3R,5S)-5-[[(1S)-1-formylpropyl]carbamoyl]-1-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(pyrazine-2-carbonylamino)butanoyl]amino]butanoyl]pyrrolidin-3-yl]oxycarbonylamino]benzoate CAS Name: 3-[[[(3R,5S)-1-[(2S)-3-methyl-2-[[(2S)-3-methyl-1-oxo-2-[[oxo(2-pyrazinyl)methyl]amino]butyl]amino]-1-oxobutyl]-5-[oxo-[[(2S)-1-oxobutan-2-yl]amino]methyl]-3-pyrrolidinyl]oxy-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(3R,5S)-1-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(pyrazine-2-carbonylamino)butanoyl]amino]butanoyl]-5-[[(2S)-1-oxobutan-2-yl]carbamoyl]pyrrolidin-3-yl]oxycarbonylamino]benzoate Traditional Name: 3-[[(3R,5S)-5-[[(1S)-1-formylpropyl]carbamoyl]-1-[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(pyrazinoylamino)butanoyl]amino]butanoyl]pyrrolidin-3-yl]oxycarbonylamino]benzoic acid ethyl ester Formula: C34H45N7O9 MolecularWeight: 695.7626

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C=O)NC(=O)C1CC(CN1C(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C2=NC=CN=C2)OC(=O)NC3=CC=CC(=C3)C(=O)OCC

Isomeric SMILES

CC[C@@H](C=O)NC(=O)[C@@H]1C[C@H](CN1C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)C2=NC=CN=C2)OC(=O)NC3=CC=CC(=C3)C(=O)OCC

InChI

InChI=1S/C34H45N7O9/c1-7-22(18-42)37-30(44)26-15-24(50-34(48)38-23-11-9-10-21(14-23)33(47)49-8-2)17-41(26)32(46)28(20(5)6)40-31(45)27(19(3)4)39-29(43)25-16-35-12-13-36-25/h9-14,16,18-20,22,24,26-28H,7-8,15,17H2,1-6H3,(H,37,44)(H,38,48)(H,39,43)(H,40,45)/t22-,24+,26-,27-,28-/m0/s1