[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate

C156H180N12O24 — CID 158423481

IUPAC[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate
SMILESCCCCNC(=O)O[C@@H]1C[C@@H](C(O)(c2ccc(C)cc2)c2ccc(C)cc2)N(C(=O)c2cc(C(=O)N3C[C@H](OC(=O)NCCCC)C[C@H]3C(O)(c3ccc(C)cc3)c3ccc(C)cc3)cc(C(=O)N3C[C@H](OC(=O)NCCCC)C[C@H]3C(O)(c3ccc(C)cc3)c3ccc(C)cc3)c2)C1.CCCCNC(=O)O[C@@H]1C[C@@H](C(O)(c2ccccc2)c2ccccc2)N(C(=O)c2cc(C(=O)N3C[C@H](OC(=O)NCCCC)C[C@H]3C(O)(c3ccccc3)c3ccccc3)cc(C(=O)N3C[C@H](OC(=O)NCCCC)C[C@H]3C(O)(c3ccccc3)c3ccccc3)c2)C1
InChIInChI=1S/C81H96N6O12.C75H84N6O12/c1-10-13-40-82-76(91)97-67-46-70(79(94,61-28-16-52(4)17-29-61)62-30-18-53(5)19-31-62)85(49-67)73(88)58-43-59(74(89)86-50-68(98-77(92)83-41-14-11-2)47-71(86)80(95,63-32-20-54(6)21-33-63)64-34-22-55(7)23-35-64)45-60(44-58)75(90)87-51-69(99-78(93)84-42-15-12-3)48-72(87)81(96,65-36-24-56(8)25-37-65)66-38-26-57(9)27-39-66;1-4-7-40-76-70(85)91-61-46-64(73(88,55-28-16-10-17-29-55)56-30-18-11-19-31-56)79(49-61)67(82)52-43-53(68(83)80-50-62(92-71(86)77-41-8-5-2)47-65(80)74(89,57-32-20-12-21-33-57)58-34-22-13-23-35-58)45-54(44-52)69(84)81-51-63(93-72(87)78-42-9-6-3)48-66(81)75(90,59-36-24-14-25-37-59)60-38-26-15-27-39-60/h16-39,43-45,67-72,94-96H,10-15,40-42,46-51H2,1-9H3,(H,82,91)(H,83,92)(H,84,93);10-39,43-45,61-66,88-90H,4-9,40-42,46-51H2,1-3H3,(H,76,85)(H,77,86)(H,78,87)/t67-,68-,69-,70+,71+,72+;61-,62-,63-,64+,65+,66+/m11/s1
InChIKeyHATPKJJPCXRBCN-FSCJTPRWSA-N
MW2607.22 g/mol
LogP23.50
Rot. Bonds48

About [(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate

[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate (PubChem CID 158423481) has the molecular formula C156H180N12O24 and a molecular weight of 2607.22 g/mol. Its IUPAC name is [(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate.

Molecular Properties

Compound Name[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate
PubChem CID158423481
Molecular FormulaC156H180N12O24
Molecular Weight2607.22 g/mol
Exact Mass2605.32
IUPAC Name[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate
SMILESCCCCNC(=O)O[C@@H]1C[C@@H](C(O)(c2ccc(C)cc2)c2ccc(C)cc2)N(C(=O)c2cc(C(=O)N3C[C@H](OC(=O)NCCCC)C[C@H]3C(O)(c3ccc(C)cc3)c3ccc(C)cc3)cc(C(=O)N3C[C@H](OC(=O)NCCCC)C[C@H]3C(O)(c3ccc(C)cc3)c3ccc(C)cc3)c2)C1.CCCCNC(=O)O[C@@H]1C[C@@H](C(O)(c2ccccc2)c2ccccc2)N(C(=O)c2cc(C(=O)N3C[C@H](OC(=O)NCCCC)C[C@H]3C(O)(c3ccccc3)c3ccccc3)cc(C(=O)N3C[C@H](OC(=O)NCCCC)C[C@H]3C(O)(c3ccccc3)c3ccccc3)c2)C1
InChIInChI=1S/C81H96N6O12.C75H84N6O12/c1-10-13-40-82-76(91)97-67-46-70(79(94,61-28-16-52(4)17-29-61)62-30-18-53(5)19-31-62)85(49-67)73(88)58-43-59(74(89)86-50-68(98-77(92)83-41-14-11-2)47-71(86)80(95,63-32-20-54(6)21-33-63)64-34-22-55(7)23-35-64)45-60(44-58)75(90)87-51-69(99-78(93)84-42-15-12-3)48-72(87)81(96,65-36-24-56(8)25-37-65)66-38-26-57(9)27-39-66;1-4-7-40-76-70(85)91-61-46-64(73(88,55-28-16-10-17-29-55)56-30-18-11-19-31-56)79(49-61)67(82)52-43-53(68(83)80-50-62(92-71(86)77-41-8-5-2)47-65(80)74(89,57-32-20-12-21-33-57)58-34-22-13-23-35-58)45-54(44-52)69(84)81-51-63(93-72(87)78-42-9-6-3)48-66(81)75(90,59-36-24-14-25-37-59)60-38-26-15-27-39-60/h16-39,43-45,67-72,94-96H,10-15,40-42,46-51H2,1-9H3,(H,82,91)(H,83,92)(H,84,93);10-39,43-45,61-66,88-90H,4-9,40-42,46-51H2,1-3H3,(H,76,85)(H,77,86)(H,78,87)/t67-,68-,69-,70+,71+,72+;61-,62-,63-,64+,65+,66+/m11/s1
InChIKeyHATPKJJPCXRBCN-FSCJTPRWSA-N
XLogP23.50
TPSA473.22 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds48
Heavy Atoms192
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002607.22
LogP ≤ 523.50
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze [(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate with MolForge

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Related Compounds

[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy-bis(4-methoxyphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3-[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]-5-(piperidine-1-carbonyl)benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate
CID 157223148
(2S)-2-benzylpent-4-en-1-amine;(2S)-2-benzylpent-4-en-1-ol;(4R)-3-[(2R)-2-benzylpent-4-enoyl]-4-phenyl-1,3-oxazolidin-2-one;2-[(2S)-2-benzylpent-4-enyl]isoindole-1,3-dione;tert-butyl N-[(2R)-2-benzyl-4,5-dihydroxypentyl]carbamate;tert-butyl (4R)-4-benzyl-2-hydroxypyrrolidine-1-carboxylate;tert-butyl N-[(2S)-2-benzylpent-4-enyl]carbamate;(4R)-3-pent-4-enoyl-4-phenyl-1,3-oxazolidin-2-one;(4R)-4-phenyl-1,3-oxazolidin-2-one
CID 157437315
[(3R,5S)-1-[3-[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]-5-(piperidine-1-carbonyl)benzoyl]-5-[hydroxy-bis(4-methoxyphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3-[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]-5-(piperidine-1-carbonyl)benzoyl]-5-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate
CID 157453900
methyl (1R,23S)-23-tert-butyl-18,18-dimethyl-3,12,21,24-tetraoxo-2,20-dioxa-4,13,22,25-tetrazatetracyclo[23.2.1.14,7.06,11]nonacosa-6,8,10-triene-26-carboxylate;methyl (1R,23S)-23-tert-butyl-18,18-dimethyl-3,21,24-trioxo-2,13,20-trioxa-4,22,25-triazatetracyclo[23.2.1.14,7.06,11]nonacosa-6,8,10-triene-26-carboxylate;methyl (1R,23S)-23-tert-butyl-3,12,21,24-tetraoxo-2,20-dioxa-4,13,22,25-tetrazatetracyclo[23.2.1.14,7.06,11]nonacosa-6,8,10-triene-26-carboxylate;methyl (1R,23S)-23-tert-butyl-3,21,24-trioxo-2,13,20-trioxa-4,22,25-triazatetracyclo[23.2.1.14,7.06,11]nonacosa-6,8,10-triene-26-carboxylate
CID 157511761
lithium;(2S)-N-(1-amino-2-hydroxy-4-methyl-1-oxopentan-3-yl)-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxamide;3-amino-2-hydroxy-4-methylpentanamide;(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;(2S)-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylic acid;methane;methyl (2S)-1-[(2R)-2-amino-3-cyclohexylpropanoyl]pyrrolidine-2-carboxylate;methyl (2S)-1-[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylate;methyl (2S)-1-[(2R)-3-cyclohexyl-2-(naphthalene-2-carbonylamino)propanoyl]pyrrolidine-2-carboxylate;methyl (2S)-pyrrolidine-2-carboxylate;naphthalene-2-carboxylic acid;hydroxide;hydrochloride
CID 157522745
[(3R,5S)-1-[3,5-bis[(2S,4R)-4-[3-[hydroxy(dimethoxy)silyl]propylcarbamoyloxy]-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-[3-[hydroxy(dimethoxy)silyl]propyl]carbamate;tris(dioxosilane)
CID 157680941
[(3R,5S)-1-[3,5-bis[(2S,4R)-4-[3-[hydroxy(dimethoxy)silyl]propylcarbamoyloxy]-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-[3-[hydroxy(dimethoxy)silyl]propyl]carbamate
CID 157680942
bis([(3R,5S)-1-[3,5-bis[(2S,4R)-4-[3-[hydroxy(dimethoxy)silyl]propylcarbamoyloxy]-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-[3-[hydroxy(dimethoxy)silyl]propyl]carbamate);hexakis(dioxosilane)
CID 157826082
tert-butyl (3R)-3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[methyl-(4-phenylbenzoyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-[2-oxo-2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate;N-(1-cyanopyrrolidin-3-yl)-N-methyl-4-phenylbenzamide;N-methyl-4-phenyl-N-pyrrolidin-3-ylbenzamide;4-phenylbenzoic acid
CID 158090009
tert-butyl 3-aminopyrrolidine-1-carboxylate;tert-butyl 3-[methyl-(4-phenylbenzoyl)amino]pyrrolidine-1-carboxylate;tert-butyl 3-[2-oxo-2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate;N-(1-cyanopyrrolidin-3-yl)-N-methyl-4-phenylbenzamide;N-methyl-4-phenyl-N-pyrrolidin-3-ylbenzamide;4-phenylbenzoic acid
CID 158090011
[(2S,4S)-4-butan-2-yl-5,5-diethyl-2-methyl-1,3-oxazolidin-3-yl]-phenylmethanone;bis([(2S,4S)-4-butan-2-yl-2-methyl-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone);(2S,4S)-4-butan-2-yl-2-phenyl-5,5-dipropyl-1,3-oxazolidine;bis([(2S,4S)-5,5-diethyl-2-methyl-4-(2-methylpropyl)-1,3-oxazolidin-3-yl]-phenylmethanone);bis([(2S,4S)-2-methyl-4-(2-methylpropyl)-5,5-dipropyl-1,3-oxazolidin-3-yl]-phenylmethanone)
CID 158446917
tert-butyl 2-[3-[(dimethylamino)methyl]phenyl]pyrrolidine-1-carboxylate;tert-butyl 2-(3-formylphenyl)pyrrolidine-1-carboxylate;tert-butyl 2-[3-(hydroxymethyl)phenyl]pyrrolidine-1-carboxylate;tert-butyl 2-(3-methoxycarbonylphenyl)pyrrolidine-1-carboxylate;N,N-dimethyl-1-(3-pyrrolidin-2-ylphenyl)methanamine;methane
CID 158470931

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate?
The IUPAC name of [(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate (CID 158423481) is [(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate.
What is the SMILES notation for [(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate?
The canonical SMILES for [(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate is CCCCNC(=O)O[C@@H]1C[C@@H](C(O)(c2ccc(C)cc2)c2ccc(C)cc2)N(C(=O)c2cc(C(=O)N3C[C@H](OC(=O)NCCCC)C[C@H]3C(O)(c3ccc(C)cc3)c3ccc(C)cc3)cc(C(=O)N3C[C@H](OC(=O)NCCCC)C[C@H]3C(O)(c3ccc(C)cc3)c3ccc(C)cc3)c2)C1.CCCCNC(=O)O[C@@H]1C[C@@H](C(O)(c2ccccc2)c2ccccc2)N(C(=O)c2cc(C(=O)N3C[C@H](OC(=O)NCCCC)C[C@H]3C(O)(c3ccccc3)c3ccccc3)cc(C(=O)N3C[C@H](OC(=O)NCCCC)C[C@H]3C(O)(c3ccccc3)c3ccccc3)c2)C1.
What is the InChIKey of [(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate?
The InChIKey is HATPKJJPCXRBCN-FSCJTPRWSA-N. The full InChI is InChI=1S/C81H96N6O12.C75H84N6O12/c1-10-13-40-82-76(91)97-67-46-70(79(94,61-28-16-52(4)17-29-61)62-30-18-53(5)19-31-62)85(49-67)73(88)58-43-59(74(89)86-50-68(98-77(92)83-41-14-11-2)47-71(86)80(95,63-32-20-54(6)21-33-63)64-34-22-55(7)23-35-64)45-60(44-58)75(90)87-51-69(99-78(93)84-42-15-12-3)48-72(87)81(96,65-36-24-56(8)25-37-65)66-38-26-57(9)27-39-66;1-4-7-40-76-70(85)91-61-46-64(73(88,55-28-16-10-17-29-55)56-30-18-11-19-31-56)79(49-61)67(82)52-43-53(68(83)80-50-62(92-71(86)77-41-8-5-2)47-65(80)74(89,57-32-20-12-21-33-57)58-34-22-13-23-35-58)45-54(44-52)69(84)81-51-63(93-72(87)78-42-9-6-3)48-66(81)75(90,59-36-24-14-25-37-59)60-38-26-15-27-39-60/h16-39,43-45,67-72,94-96H,10-15,40-42,46-51H2,1-9H3,(H,82,91)(H,83,92)(H,84,93);10-39,43-45,61-66,88-90H,4-9,40-42,46-51H2,1-3H3,(H,76,85)(H,77,86)(H,78,87)/t67-,68-,69-,70+,71+,72+;61-,62-,63-,64+,65+,66+/m11/s1.
What are the key properties of [(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate?
[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate has a molecular weight of 2607.22 g/mol, XLogP of 23.50, 48 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy-bis(4-methylphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate;[(3R,5S)-1-[3,5-bis[(2S,4R)-4-(butylcarbamoyloxy)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carbonyl]benzoyl]-5-[hydroxy(diphenyl)methyl]pyrrolidin-3-yl] N-butylcarbamate is sourced from PubChem (CID 158423481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).