tert-butyl (2S)-1-[[(1S,2R,3S,4R)-3-[[(1S,2R,3S,4R)-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]carbonyl-3-bicyclo[2.2.1]hept-5-enyl]carbamoylamino]-2-bicyclo[2.2.1]hept-5-enyl]carbonyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl (2S)-1-[[(1S,2R,3S,4R)-3-[[(1S,2R,3S,4R)-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-1-yl]carbonyl-3-bicyclo[2.2.1]hept-5-enyl]carbamoylamino]-2-bicyclo[2.2.1]hept-5-enyl]carbonyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[(1S,2R,3S,4R)-3-[[(1S,2R,3S,4R)-2-[(2S)-2-tert-butoxycarbonylpyrrolidine-1-carbonyl]-3-bicyclo[2.2.1]hept-5-enyl]carbamoylamino]bicyclo[2.2.1]hept-5-ene-2-carbonyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[[(1S,2R,3S,4R)-3-[[[[(1S,2R,3S,4R)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxy-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-3-bicyclo[2.2.1]hept-5-enyl]amino]-oxomethyl]amino]-2-bicyclo[2.2.1]hept-5-enyl]-oxomethyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[(1S,2R,3S,4R)-3-[[(1S,2R,3S,4R)-2-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-1-carbonyl]-3-bicyclo[2.2.1]hept-5-enyl]carbamoylamino]bicyclo[2.2.1]hept-5-ene-2-carbonyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[(1S,2R,3S,4R)-3-[[(1S,2R,3S,4R)-2-[(2S)-2-tert-butoxycarbonylpyrrolidine-1-carbonyl]-3-bicyclo[2.2.1]hept-5-enyl]carbamoylamino]bicyclo[2.2.1]hept-5-ene-2-carbonyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C35H50N4O7 MolecularWeight: 638.7941

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=O)C2C3CC(C2NC(=O)NC4C5CC(C4C(=O)N6CCCC6C(=O)OC(C)(C)C)C=C5)C=C3

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)[C@@H]2[C@H]3C[C@@H]([C@@H]2NC(=O)N[C@H]4[C@@H]5C[C@H]([C@H]4C(=O)N6CCC[C@H]6C(=O)OC(C)(C)C)C=C5)C=C3

InChI

InChI=1S/C35H50N4O7/c1-34(2,3)45-31(42)23-9-7-15-38(23)29(40)25-19-11-13-21(17-19)27(25)36-33(44)37-28-22-14-12-20(18-22)26(28)30(41)39-16-8-10-24(39)32(43)46-35(4,5)6/h11-14,19-28H,7-10,15-18H2,1-6H3,(H2,36,37,44)/t19-,20-,21+,22+,23+,24+,25-,26-,27+,28+/m1/s1