benzyl N-[(3S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]carbamate;tert-butyl N-[(2S)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3,5-dimethylphenyl)-1-oxopropan-2-yl]carbamate;(2S)-3-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;[(2S)-2-methyl-3-oxo-3-phenacyloxypropyl] (2R,4S)-4-methylpyrrolidin-1-ium-2-carboxylate;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;[(2S)-3-oxo-3-phenacyloxy-2-(phenylmethoxycarbonylamino)propyl] (2S,4R)-4-methyl-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylate;chloride

C167H232ClN21O44 — CID 160744098

About benzyl N-[(3S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]carbamate;tert-butyl N-[(2S)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3,5-dimethylphenyl)-1-oxopropan-2-yl]carbamate;(2S)-3-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;[(2S)-2-methyl-3-oxo-3-phenacyloxypropyl] (2R,4S)-4-methylpyrrolidin-1-ium-2-carboxylate;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;[(2S)-3-oxo-3-phenacyloxy-2-(phenylmethoxycarbonylamino)propyl] (2S,4R)-4-methyl-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylate;chloride

benzyl N-[(3S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]carbamate;tert-butyl N-[(2S)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3,5-dimethylphenyl)-1-oxopropan-2-yl]carbamate;(2S)-3-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;[(2S)-2-methyl-3-oxo-3-phenacyloxypropyl] (2R,4S)-4-methylpyrrolidin-1-ium-2-carboxylate;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;[(2S)-3-oxo-3-phenacyloxy-2-(phenylmethoxycarbonylamino)propyl] (2S,4R)-4-methyl-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylate;chloride (PubChem CID 160744098) has the molecular formula C167H232ClN21O44 and a molecular weight of 3273.25 g/mol. Its IUPAC name is benzyl N-[(3S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]carbamate;tert-butyl N-[(2S)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3,5-dimethylphenyl)-1-oxopropan-2-yl]carbamate;(2S)-3-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;[(2S)-2-methyl-3-oxo-3-phenacyloxypropyl] (2R,4S)-4-methylpyrrolidin-1-ium-2-carboxylate;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;[(2S)-3-oxo-3-phenacyloxy-2-(phenylmethoxycarbonylamino)propyl] (2S,4R)-4-methyl-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylate;chloride.

Molecular Properties

• Compound Name: benzyl N-[(3S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]carbamate;tert-butyl N-[(2S)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3,5-dimethylphenyl)-1-oxopropan-2-yl]carbamate;(2S)-3-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;[(2S)-2-methyl-3-oxo-3-phenacyloxypropyl] (2R,4S)-4-methylpyrrolidin-1-ium-2-carboxylate;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;[(2S)-3-oxo-3-phenacyloxy-2-(phenylmethoxycarbonylamino)propyl] (2S,4R)-4-methyl-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylate;chloride
• PubChem CID: 160744098
• Molecular Formula: C167H232ClN21O44
• Molecular Weight: 3273.25 g/mol
• Exact Mass: 3270.63
• IUPAC Name: benzyl N-[(3S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]carbamate;tert-butyl N-[(2S)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3,5-dimethylphenyl)-1-oxopropan-2-yl]carbamate;(2S)-3-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;[(2S)-2-methyl-3-oxo-3-phenacyloxypropyl] (2R,4S)-4-methylpyrrolidin-1-ium-2-carboxylate;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;[(2S)-3-oxo-3-phenacyloxy-2-(phenylmethoxycarbonylamino)propyl] (2S,4R)-4-methyl-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylate;chloride
• SMILES: C[C@@H]1C[C@@H](C(=O)OC[C@H](NC(=O)OCc2ccccc2)C(=O)OCC(=O)c2ccccc2)N(C(=O)[C@H](C)NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1.C[C@@H]1C[C@H]2C(=O)OCC(NC(=O)OCc3ccccc3)C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N2C1.C[C@@H]1C[NH2+][C@@H](C(=O)OC[C@H](C)C(=O)OCC(=O)c2ccccc2)C1.C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)O.Cc1cc(C)cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)c1.Cc1cc(C)cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1.[Cl-]
• InChI: InChI=1S/C44H57N5O12.C39H56N6O9.C31H41N5O8.C19H31N3O6.C18H23NO5.C16H23NO4.ClH/c1-28-23-35(41(55)58-26-32(46-42(56)60-25-30-15-8-6-9-16-30)40(54)59-27-36(50)31-17-10-7-11-18-31)49(24-28)38(52)29(2)45-37(51)33-19-12-13-21-47(33)39(53)34-20-14-22-48(34)43(57)61-44(3,4)5;1-22-15-23(2)17-26(16-22)19-27(42-38(52)54-39(5,6)7)32(46)41-28-21-53-37(51)31-18-24(3)20-45(31)34(48)25(4)40-33(47)29-11-8-9-13-43(29)36(50)30-12-10-14-44(30)35(28)49;1-19-15-25-30(41)43-18-22(33-31(42)44-17-21-9-4-3-5-10-21)28(39)35-14-8-12-24(35)29(40)34-13-7-6-11-23(34)26(37)32-20(2)27(38)36(25)16-19;1-12(17(25)26)20-15(23)13-8-5-6-10-21(13)16(24)14-9-7-11-22(14)18(27)28-19(2,3)4;1-12-8-15(19-9-12)18(22)23-10-13(2)17(21)24-11-16(20)14-6-4-3-5-7-14;1-10-6-11(2)8-12(7-10)9-13(14(18)19)17-15(20)21-16(3,4)5;/h6-11,15-18,28-29,32-35H,12-14,19-27H2,1-5H3,(H,45,51)(H,46,56);15-17,24-25,27-31H,8-14,18-21H2,1-7H3,(H,40,47)(H,41,46)(H,42,52);3-5,9-10,19-20,22-25H,6-8,11-18H2,1-2H3,(H,32,37)(H,33,42);12-14H,5-11H2,1-4H3,(H,20,23)(H,25,26);3-7,12-13,15,19H,8-11H2,1-2H3;6-8,13H,9H2,1-5H3,(H,17,20)(H,18,19);1H/t28-,29+,32+,33+,34+,35+;24-,25+,27+,28+,29+,30+,31+;19-,20+,22?,23+,24+,25+;12-,13-,14-;12-,13-,15+;13-;/m111000./s1
• InChIKey: XZKLXUWKCMCHJU-MERDMYPJSA-N
• XLogP: 8.37
• TPSA: 823.84 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 42
• Rotatable Bonds: 37
• Heavy Atoms: 233
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3273.25
LogP ≤ 5	8.37
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]carbamate;tert-butyl N-[(2S)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3,5-dimethylphenyl)-1-oxopropan-2-yl]carbamate;(2S)-3-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;[(2S)-2-methyl-3-oxo-3-phenacyloxypropyl] (2R,4S)-4-methylpyrrolidin-1-ium-2-carboxylate;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;[(2S)-3-oxo-3-phenacyloxy-2-(phenylmethoxycarbonylamino)propyl] (2S,4R)-4-methyl-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylate;chloride?

The IUPAC name of benzyl N-[(3S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]carbamate;tert-butyl N-[(2S)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3,5-dimethylphenyl)-1-oxopropan-2-yl]carbamate;(2S)-3-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;[(2S)-2-methyl-3-oxo-3-phenacyloxypropyl] (2R,4S)-4-methylpyrrolidin-1-ium-2-carboxylate;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;[(2S)-3-oxo-3-phenacyloxy-2-(phenylmethoxycarbonylamino)propyl] (2S,4R)-4-methyl-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylate;chloride (CID 160744098) is benzyl N-[(3S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]carbamate;tert-butyl N-[(2S)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3,5-dimethylphenyl)-1-oxopropan-2-yl]carbamate;(2S)-3-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;[(2S)-2-methyl-3-oxo-3-phenacyloxypropyl] (2R,4S)-4-methylpyrrolidin-1-ium-2-carboxylate;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;[(2S)-3-oxo-3-phenacyloxy-2-(phenylmethoxycarbonylamino)propyl] (2S,4R)-4-methyl-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylate;chloride.

What is the SMILES notation for benzyl N-[(3S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]carbamate;tert-butyl N-[(2S)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3,5-dimethylphenyl)-1-oxopropan-2-yl]carbamate;(2S)-3-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;[(2S)-2-methyl-3-oxo-3-phenacyloxypropyl] (2R,4S)-4-methylpyrrolidin-1-ium-2-carboxylate;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;[(2S)-3-oxo-3-phenacyloxy-2-(phenylmethoxycarbonylamino)propyl] (2S,4R)-4-methyl-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylate;chloride?

The canonical SMILES for benzyl N-[(3S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]carbamate;tert-butyl N-[(2S)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3,5-dimethylphenyl)-1-oxopropan-2-yl]carbamate;(2S)-3-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;[(2S)-2-methyl-3-oxo-3-phenacyloxypropyl] (2R,4S)-4-methylpyrrolidin-1-ium-2-carboxylate;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;[(2S)-3-oxo-3-phenacyloxy-2-(phenylmethoxycarbonylamino)propyl] (2S,4R)-4-methyl-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylate;chloride is C[C@@H]1C[C@@H](C(=O)OC[C@H](NC(=O)OCc2ccccc2)C(=O)OCC(=O)c2ccccc2)N(C(=O)[C@H](C)NC(=O)[C@@H]2CCCCN2C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1.C[C@@H]1C[C@H]2C(=O)OCC(NC(=O)OCc3ccccc3)C(=O)N3CCC[C@H]3C(=O)N3CCCC[C@H]3C(=O)N[C@@H](C)C(=O)N2C1.C[C@@H]1C[NH2+][C@@H](C(=O)OC[C@H](C)C(=O)OCC(=O)c2ccccc2)C1.C[C@H](NC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C(=O)O.Cc1cc(C)cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]2COC(=O)[C@@H]3C[C@@H](C)CN3C(=O)[C@H](C)NC(=O)[C@@H]3CCCCN3C(=O)[C@@H]3CCCN3C2=O)c1.Cc1cc(C)cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c1.[Cl-].

What is the InChIKey of benzyl N-[(3S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]carbamate;tert-butyl N-[(2S)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3,5-dimethylphenyl)-1-oxopropan-2-yl]carbamate;(2S)-3-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;[(2S)-2-methyl-3-oxo-3-phenacyloxypropyl] (2R,4S)-4-methylpyrrolidin-1-ium-2-carboxylate;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;[(2S)-3-oxo-3-phenacyloxy-2-(phenylmethoxycarbonylamino)propyl] (2S,4R)-4-methyl-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylate;chloride?

The InChIKey is XZKLXUWKCMCHJU-MERDMYPJSA-N. The full InChI is InChI=1S/C44H57N5O12.C39H56N6O9.C31H41N5O8.C19H31N3O6.C18H23NO5.C16H23NO4.ClH/c1-28-23-35(41(55)58-26-32(46-42(56)60-25-30-15-8-6-9-16-30)40(54)59-27-36(50)31-17-10-7-11-18-31)49(24-28)38(52)29(2)45-37(51)33-19-12-13-21-47(33)39(53)34-20-14-22-48(34)43(57)61-44(3,4)5;1-22-15-23(2)17-26(16-22)19-27(42-38(52)54-39(5,6)7)32(46)41-28-21-53-37(51)31-18-24(3)20-45(31)34(48)25(4)40-33(47)29-11-8-9-13-43(29)36(50)30-12-10-14-44(30)35(28)49;1-19-15-25-30(41)43-18-22(33-31(42)44-17-21-9-4-3-5-10-21)28(39)35-14-8-12-24(35)29(40)34-13-7-6-11-23(34)26(37)32-20(2)27(38)36(25)16-19;1-12(17(25)26)20-15(23)13-8-5-6-10-21(13)16(24)14-9-7-11-22(14)18(27)28-19(2,3)4;1-12-8-15(19-9-12)18(22)23-10-13(2)17(21)24-11-16(20)14-6-4-3-5-7-14;1-10-6-11(2)8-12(7-10)9-13(14(18)19)17-15(20)21-16(3,4)5;/h6-11,15-18,28-29,32-35H,12-14,19-27H2,1-5H3,(H,45,51)(H,46,56);15-17,24-25,27-31H,8-14,18-21H2,1-7H3,(H,40,47)(H,41,46)(H,42,52);3-5,9-10,19-20,22-25H,6-8,11-18H2,1-2H3,(H,32,37)(H,33,42);12-14H,5-11H2,1-4H3,(H,20,23)(H,25,26);3-7,12-13,15,19H,8-11H2,1-2H3;6-8,13H,9H2,1-5H3,(H,17,20)(H,18,19);1H/t28-,29+,32+,33+,34+,35+;24-,25+,27+,28+,29+,30+,31+;19-,20+,22?,23+,24+,25+;12-,13-,14-;12-,13-,15+;13-;/m111000./s1.

What are the key properties of benzyl N-[(3S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]carbamate;tert-butyl N-[(2S)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3,5-dimethylphenyl)-1-oxopropan-2-yl]carbamate;(2S)-3-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;[(2S)-2-methyl-3-oxo-3-phenacyloxypropyl] (2R,4S)-4-methylpyrrolidin-1-ium-2-carboxylate;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;[(2S)-3-oxo-3-phenacyloxy-2-(phenylmethoxycarbonylamino)propyl] (2S,4R)-4-methyl-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylate;chloride?

benzyl N-[(3S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]carbamate;tert-butyl N-[(2S)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3,5-dimethylphenyl)-1-oxopropan-2-yl]carbamate;(2S)-3-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;[(2S)-2-methyl-3-oxo-3-phenacyloxypropyl] (2R,4S)-4-methylpyrrolidin-1-ium-2-carboxylate;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;[(2S)-3-oxo-3-phenacyloxy-2-(phenylmethoxycarbonylamino)propyl] (2S,4R)-4-methyl-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylate;chloride has a molecular weight of 3273.25 g/mol, XLogP of 8.37, 37 rotatable bonds, 12 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(3S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]carbamate;tert-butyl N-[(2S)-1-[[(3S,9S,13S,15R,19S,22S)-15,19-dimethyl-2,8,12,18,21-pentaoxo-11-oxa-1,7,17,20-tetrazatetracyclo[20.4.0.03,7.013,17]hexacosan-9-yl]amino]-3-(3,5-dimethylphenyl)-1-oxopropan-2-yl]carbamate;(2S)-3-(3,5-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;[(2S)-2-methyl-3-oxo-3-phenacyloxypropyl] (2R,4S)-4-methylpyrrolidin-1-ium-2-carboxylate;(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoic acid;[(2S)-3-oxo-3-phenacyloxy-2-(phenylmethoxycarbonylamino)propyl] (2S,4R)-4-methyl-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carbonyl]piperidine-2-carbonyl]amino]propanoyl]pyrrolidine-2-carboxylate;chloride is sourced from PubChem (CID 160744098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).