tert-butyl (2S)-2-[(2S)-2-[[2-[[(1S,3R)-2-(methoxymethyl)-2,3-bis[2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoyloxymethyl]cyclopropyl]methoxy]-2-oxidanylidene-ethyl]carbamoyl]pyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(2S)-2-[[2-[[(1S,3R)-2-(methoxymethyl)-2,3-bis[2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]carbonylpyrrolidin-2-yl]carbonylamino]ethanoyloxymethyl]cyclopropyl]methoxy]-2-oxidanylidene-ethyl]carbamoyl]pyrrolidin-1-yl]carbonylpyrrolidine-1-carboxylate Openeye Name: tert-butyl (2S)-2-[(2S)-2-[[2-[[(1S,3R)-2,3-bis[[2-[[(2S)-1-[(2S)-1-tert-butoxycarbonylpyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]oxymethyl]-2-(methoxymethyl)cyclopropyl]methoxy]-2-oxo-ethyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate CAS Name: (2S)-2-[[(2S)-2-[[[2-[[(1S,3R)-2-(methoxymethyl)-2,3-bis[[2-[[[(2S)-1-[[(2S)-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxoethoxy]methyl]cyclopropyl]methoxy]-2-oxoethyl]amino]-oxomethyl]-1-pyrrolidinyl]-oxomethyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(2S)-2-[[2-[[(1S,3R)-2-(methoxymethyl)-2,3-bis[[2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]acetyl]oxymethyl]cyclopropyl]methoxy]-2-oxoethyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylate Traditional Name: (2S)-2-[(2S)-2-[[2-[[(1S,3R)-2,3-bis[[2-[[(2S)-1-[(2S)-1-tert-butoxycarbonylprolyl]prolyl]amino]acetyl]oxymethyl]-2-(methoxymethyl)cyclopropyl]methoxy]-2-keto-ethyl]carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C59H91N9O19 MolecularWeight: 1230.40274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1C(=O)N2CCCC2C(=O)NCC(=O)OCC3C(C3(COC)COC(=O)CNC(=O)C4CCCN4C(=O)C5CCCN5C(=O)OC(C)(C)C)COC(=O)CNC(=O)C6CCCN6C(=O)C7CCCN7C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC(=O)OC[C@@H]3[C@@H](C3(COC)COC(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@@H]5CCCN5C(=O)OC(C)(C)C)COC(=O)CNC(=O)[C@@H]6CCCN6C(=O)[C@@H]7CCCN7C(=O)OC(C)(C)C

InChI

InChI=1S/C59H91N9O19/c1-56(2,3)85-53(78)66-26-14-20-41(66)50(75)63-23-11-17-38(63)47(72)60-29-44(69)82-32-36-37(33-83-45(70)30-61-48(73)39-18-12-24-64(39)51(76)42-21-15-27-67(42)54(79)86-57(4,5)6)59(36,34-81-10)35-84-46(71)31-62-49(74)40-19-13-25-65(40)52(77)43-22-16-28-68(43)55(80)87-58(7,8)9/h36-43H,11-35H2,1-10H3,(H,60,72)(H,61,73)(H,62,74)/t36-,37+,38-,39-,40-,41-,42-,43-,59?/m0/s1