benzyl N-[(3S,6S,8aS)-3-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate;methyl (3R)-4-[2-[5-[6-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;methyl N-[(1R)-2-[2-[6-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(1R)-2-[2-[6-[2-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

C173H180N30O24 — CID 161401213

About benzyl N-[(3S,6S,8aS)-3-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate;methyl (3R)-4-[2-[5-[6-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;methyl N-[(1R)-2-[2-[6-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(1R)-2-[2-[6-[2-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate

benzyl N-[(3S,6S,8aS)-3-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate;methyl (3R)-4-[2-[5-[6-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;methyl N-[(1R)-2-[2-[6-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(1R)-2-[2-[6-[2-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate (PubChem CID 161401213) has the molecular formula C173H180N30O24 and a molecular weight of 3063.53 g/mol. Its IUPAC name is benzyl N-[(3S,6S,8aS)-3-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate;methyl (3R)-4-[2-[5-[6-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;methyl N-[(1R)-2-[2-[6-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(1R)-2-[2-[6-[2-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[(3S,6S,8aS)-3-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate;methyl (3R)-4-[2-[5-[6-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;methyl N-[(1R)-2-[2-[6-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(1R)-2-[2-[6-[2-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
• PubChem CID: 161401213
• Molecular Formula: C173H180N30O24
• Molecular Weight: 3063.53 g/mol
• Exact Mass: 3061.38
• IUPAC Name: benzyl N-[(3S,6S,8aS)-3-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate;methyl (3R)-4-[2-[5-[6-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;methyl N-[(1R)-2-[2-[6-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(1R)-2-[2-[6-[2-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate
• SMILES: COC(=O)C[C@@H](C(=O)N1CCCC1C1=Nc2ccc(-c3ccc4cc(-c5cnc([C@@H]6CC[C@@H]7CC[C@H](NC(=O)OC)C(=O)N76)[nH]5)ccc4c3)cc2C1)c1ccccc1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CC[C@@H]6CC[C@H](NC(=O)OCc7ccccc7)C(=O)N65)[nH]4)cc3)cc2)[nH]1)C(C)C.COC(=O)N[C@H]1CC[C@H]2CC[C@@H](c3ncc(-c4ccc(-c5ccc6nc(C7CCCN7C(=O)[C@H](NC(=O)OC)c7ccccc7)[nH]c6c5)cc4)[nH]3)N2C1=O.COC(=O)N[C@H]1CC[C@H]2CC[C@@H](c3ncc(-c4ccc(C#Cc5ccc6nc(C7CCCN7C(=O)[C@H](NC(=O)OC)c7ccccc7)[nH]c6c5)cc4)[nH]3)N2C1=O
• InChI: InChI=1S/C46H46N6O6.C45H50N8O6.C42H42N8O6.C40H42N8O6/c1-57-42(53)25-35(27-7-4-3-5-8-27)44(54)51-20-6-9-40(51)38-24-33-23-31(14-17-36(33)48-38)28-10-11-30-22-32(13-12-29(30)21-28)39-26-47-43(49-39)41-19-16-34-15-18-37(45(55)52(34)41)50-46(56)58-2;1-27(2)39(51-44(56)58-3)43(55)52-23-7-10-37(52)40-46-24-35(48-40)31-15-11-29(12-16-31)30-13-17-32(18-14-30)36-25-47-41(49-36)38-22-20-33-19-21-34(42(54)53(33)38)50-45(57)59-26-28-8-5-4-6-9-28;1-55-41(53)47-31-20-17-29-18-21-35(50(29)39(31)51)37-43-24-33(46-37)27-15-12-25(13-16-27)10-11-26-14-19-30-32(23-26)45-38(44-30)34-9-6-22-49(34)40(52)36(48-42(54)56-2)28-7-4-3-5-8-28;1-53-39(51)45-29-18-15-27-16-19-33(48(27)37(29)49)35-41-22-31(44-35)24-12-10-23(11-13-24)26-14-17-28-30(21-26)43-36(42-28)32-9-6-20-47(32)38(50)34(46-40(52)54-2)25-7-4-3-5-8-25/h3-5,7-8,10-14,17,21-23,26,34-35,37,40-41H,6,9,15-16,18-20,24-25H2,1-2H3,(H,47,49)(H,50,56);4-6,8-9,11-18,24-25,27,33-34,37-39H,7,10,19-23,26H2,1-3H3,(H,46,48)(H,47,49)(H,50,57)(H,51,56);3-5,7-8,12-16,19,23-24,29,31,34-36H,6,9,17-18,20-22H2,1-2H3,(H,43,46)(H,44,45)(H,47,53)(H,48,54);3-5,7-8,10-14,17,21-22,27,29,32-34H,6,9,15-16,18-20H2,1-2H3,(H,41,44)(H,42,43)(H,45,51)(H,46,52)/t34-,35+,37-,40?,41-;33-,34-,37-,38-,39-;29-,31-,34?,35-,36+;27-,29-,32?,33-,34+/m0000/s1
• InChIKey: VUGNBGNXITYVFK-WYESPLPGSA-N
• XLogP: 26.31
• TPSA: 670.21 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 32
• Rotatable Bonds: 35
• Heavy Atoms: 227
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3063.53
LogP ≤ 5	26.31
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(3S,6S,8aS)-3-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate;methyl (3R)-4-[2-[5-[6-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;methyl N-[(1R)-2-[2-[6-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(1R)-2-[2-[6-[2-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?

The IUPAC name of benzyl N-[(3S,6S,8aS)-3-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate;methyl (3R)-4-[2-[5-[6-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;methyl N-[(1R)-2-[2-[6-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(1R)-2-[2-[6-[2-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate (CID 161401213) is benzyl N-[(3S,6S,8aS)-3-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate;methyl (3R)-4-[2-[5-[6-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;methyl N-[(1R)-2-[2-[6-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(1R)-2-[2-[6-[2-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate.

What is the SMILES notation for benzyl N-[(3S,6S,8aS)-3-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate;methyl (3R)-4-[2-[5-[6-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;methyl N-[(1R)-2-[2-[6-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(1R)-2-[2-[6-[2-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?

The canonical SMILES for benzyl N-[(3S,6S,8aS)-3-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate;methyl (3R)-4-[2-[5-[6-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;methyl N-[(1R)-2-[2-[6-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(1R)-2-[2-[6-[2-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate is COC(=O)C[C@@H](C(=O)N1CCCC1C1=Nc2ccc(-c3ccc4cc(-c5cnc([C@@H]6CC[C@@H]7CC[C@H](NC(=O)OC)C(=O)N76)[nH]5)ccc4c3)cc2C1)c1ccccc1.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1ncc(-c2ccc(-c3ccc(-c4cnc([C@@H]5CC[C@@H]6CC[C@H](NC(=O)OCc7ccccc7)C(=O)N65)[nH]4)cc3)cc2)[nH]1)C(C)C.COC(=O)N[C@H]1CC[C@H]2CC[C@@H](c3ncc(-c4ccc(-c5ccc6nc(C7CCCN7C(=O)[C@H](NC(=O)OC)c7ccccc7)[nH]c6c5)cc4)[nH]3)N2C1=O.COC(=O)N[C@H]1CC[C@H]2CC[C@@H](c3ncc(-c4ccc(C#Cc5ccc6nc(C7CCCN7C(=O)[C@H](NC(=O)OC)c7ccccc7)[nH]c6c5)cc4)[nH]3)N2C1=O.

What is the InChIKey of benzyl N-[(3S,6S,8aS)-3-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate;methyl (3R)-4-[2-[5-[6-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;methyl N-[(1R)-2-[2-[6-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(1R)-2-[2-[6-[2-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?

The InChIKey is VUGNBGNXITYVFK-WYESPLPGSA-N. The full InChI is InChI=1S/C46H46N6O6.C45H50N8O6.C42H42N8O6.C40H42N8O6/c1-57-42(53)25-35(27-7-4-3-5-8-27)44(54)51-20-6-9-40(51)38-24-33-23-31(14-17-36(33)48-38)28-10-11-30-22-32(13-12-29(30)21-28)39-26-47-43(49-39)41-19-16-34-15-18-37(45(55)52(34)41)50-46(56)58-2;1-27(2)39(51-44(56)58-3)43(55)52-23-7-10-37(52)40-46-24-35(48-40)31-15-11-29(12-16-31)30-13-17-32(18-14-30)36-25-47-41(49-36)38-22-20-33-19-21-34(42(54)53(33)38)50-45(57)59-26-28-8-5-4-6-9-28;1-55-41(53)47-31-20-17-29-18-21-35(50(29)39(31)51)37-43-24-33(46-37)27-15-12-25(13-16-27)10-11-26-14-19-30-32(23-26)45-38(44-30)34-9-6-22-49(34)40(52)36(48-42(54)56-2)28-7-4-3-5-8-28;1-53-39(51)45-29-18-15-27-16-19-33(48(27)37(29)49)35-41-22-31(44-35)24-12-10-23(11-13-24)26-14-17-28-30(21-26)43-36(42-28)32-9-6-20-47(32)38(50)34(46-40(52)54-2)25-7-4-3-5-8-25/h3-5,7-8,10-14,17,21-23,26,34-35,37,40-41H,6,9,15-16,18-20,24-25H2,1-2H3,(H,47,49)(H,50,56);4-6,8-9,11-18,24-25,27,33-34,37-39H,7,10,19-23,26H2,1-3H3,(H,46,48)(H,47,49)(H,50,57)(H,51,56);3-5,7-8,12-16,19,23-24,29,31,34-36H,6,9,17-18,20-22H2,1-2H3,(H,43,46)(H,44,45)(H,47,53)(H,48,54);3-5,7-8,10-14,17,21-22,27,29,32-34H,6,9,15-16,18-20H2,1-2H3,(H,41,44)(H,42,43)(H,45,51)(H,46,52)/t34-,35+,37-,40?,41-;33-,34-,37-,38-,39-;29-,31-,34?,35-,36+;27-,29-,32?,33-,34+/m0000/s1.

What are the key properties of benzyl N-[(3S,6S,8aS)-3-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate;methyl (3R)-4-[2-[5-[6-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;methyl N-[(1R)-2-[2-[6-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(1R)-2-[2-[6-[2-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate?

benzyl N-[(3S,6S,8aS)-3-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate;methyl (3R)-4-[2-[5-[6-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;methyl N-[(1R)-2-[2-[6-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(1R)-2-[2-[6-[2-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate has a molecular weight of 3063.53 g/mol, XLogP of 26.31, 35 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(3S,6S,8aS)-3-[5-[4-[4-[2-[(2S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-6-yl]carbamate;methyl (3R)-4-[2-[5-[6-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]naphthalen-2-yl]-3H-indol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate;methyl N-[(1R)-2-[2-[6-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;methyl N-[(1R)-2-[2-[6-[2-[4-[2-[(3S,6S,8aS)-6-(methoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizin-3-yl]-1H-imidazol-5-yl]phenyl]ethynyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate is sourced from PubChem (CID 161401213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).