tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[[4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]benzoyl]-(2-phenylethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(2-phenylethylamino)methyl]pyrrolidine-1-carboxylate;4-(4-carbonochloridoylphenyl)benzoyl chloride;N-(2-phenylethyl)-4-[4-[2-phenylethyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]phenyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide

C132H161Cl2N11O15 — CID 160797402

IUPACtert-butyl (2S)-2-formylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[[4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]benzoyl]-(2-phenylethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(2-phenylethylamino)methyl]pyrrolidine-1-carboxylate;4-(4-carbonochloridoylphenyl)benzoyl chloride;N-(2-phenylethyl)-4-[4-[2-phenylethyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]phenyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C=O.CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCc1ccccc1)C(=O)c1ccc(-c2ccc(C(=O)N(CCc3ccccc3)C[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)cc1.CC(C)(C)OC(=O)N1CCC[C@H]1CNCCc1ccccc1.O=C(Cl)c1ccc(-c2ccc(C(=O)Cl)cc2)cc1.O=C(c1ccc(-c2ccc(C(=O)N(CCc3ccccc3)C[C@@H]3CCCN3)cc2)cc1)N(CCc1ccccc1)C[C@@H]1CCCN1
InChIInChI=1S/C50H62N4O6.C40H46N4O2.C18H28N2O2.C14H8Cl2O2.C10H17NO3/c1-49(2,3)59-47(57)53-31-13-19-43(53)35-51(33-29-37-15-9-7-10-16-37)45(55)41-25-21-39(22-26-41)40-23-27-42(28-24-40)46(56)52(34-30-38-17-11-8-12-18-38)36-44-20-14-32-54(44)48(58)60-50(4,5)6;45-39(43(29-37-13-7-25-41-37)27-23-31-9-3-1-4-10-31)35-19-15-33(16-20-35)34-17-21-36(22-18-34)40(46)44(30-38-14-8-26-42-38)28-24-32-11-5-2-6-12-32;1-18(2,3)22-17(21)20-13-7-10-16(20)14-19-12-11-15-8-5-4-6-9-15;15-13(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(16)18;1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h7-12,15-18,21-28,43-44H,13-14,19-20,29-36H2,1-6H3;1-6,9-12,15-22,37-38,41-42H,7-8,13-14,23-30H2;4-6,8-9,16,19H,7,10-14H2,1-3H3;1-8H;7-8H,4-6H2,1-3H3/t43-,44-;37-,38-;16-;;8-/m000.0/s1
InChIKeySCPRTAYJLVMMRO-KYDBEYKRSA-N
MW2212.71 g/mol
LogP24.66
Rot. Bonds35

About tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[[4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]benzoyl]-(2-phenylethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(2-phenylethylamino)methyl]pyrrolidine-1-carboxylate;4-(4-carbonochloridoylphenyl)benzoyl chloride;N-(2-phenylethyl)-4-[4-[2-phenylethyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]phenyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide

tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[[4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]benzoyl]-(2-phenylethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(2-phenylethylamino)methyl]pyrrolidine-1-carboxylate;4-(4-carbonochloridoylphenyl)benzoyl chloride;N-(2-phenylethyl)-4-[4-[2-phenylethyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]phenyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide (PubChem CID 160797402) has the molecular formula C132H161Cl2N11O15 and a molecular weight of 2212.71 g/mol. Its IUPAC name is tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[[4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]benzoyl]-(2-phenylethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(2-phenylethylamino)methyl]pyrrolidine-1-carboxylate;4-(4-carbonochloridoylphenyl)benzoyl chloride;N-(2-phenylethyl)-4-[4-[2-phenylethyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]phenyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide.

Molecular Properties

Compound Nametert-butyl (2S)-2-formylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[[4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]benzoyl]-(2-phenylethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(2-phenylethylamino)methyl]pyrrolidine-1-carboxylate;4-(4-carbonochloridoylphenyl)benzoyl chloride;N-(2-phenylethyl)-4-[4-[2-phenylethyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]phenyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
PubChem CID160797402
Molecular FormulaC132H161Cl2N11O15
Molecular Weight2212.71 g/mol
Exact Mass2210.16
IUPAC Nametert-butyl (2S)-2-formylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[[4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]benzoyl]-(2-phenylethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(2-phenylethylamino)methyl]pyrrolidine-1-carboxylate;4-(4-carbonochloridoylphenyl)benzoyl chloride;N-(2-phenylethyl)-4-[4-[2-phenylethyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]phenyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1C=O.CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCc1ccccc1)C(=O)c1ccc(-c2ccc(C(=O)N(CCc3ccccc3)C[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)cc1.CC(C)(C)OC(=O)N1CCC[C@H]1CNCCc1ccccc1.O=C(Cl)c1ccc(-c2ccc(C(=O)Cl)cc2)cc1.O=C(c1ccc(-c2ccc(C(=O)N(CCc3ccccc3)C[C@@H]3CCCN3)cc2)cc1)N(CCc1ccccc1)C[C@@H]1CCCN1
InChIInChI=1S/C50H62N4O6.C40H46N4O2.C18H28N2O2.C14H8Cl2O2.C10H17NO3/c1-49(2,3)59-47(57)53-31-13-19-43(53)35-51(33-29-37-15-9-7-10-16-37)45(55)41-25-21-39(22-26-41)40-23-27-42(28-24-40)46(56)52(34-30-38-17-11-8-12-18-38)36-44-20-14-32-54(44)48(58)60-50(4,5)6;45-39(43(29-37-13-7-25-41-37)27-23-31-9-3-1-4-10-31)35-19-15-33(16-20-35)34-17-21-36(22-18-34)40(46)44(30-38-14-8-26-42-38)28-24-32-11-5-2-6-12-32;1-18(2,3)22-17(21)20-13-7-10-16(20)14-19-12-11-15-8-5-4-6-9-15;15-13(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(16)18;1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h7-12,15-18,21-28,43-44H,13-14,19-20,29-36H2,1-6H3;1-6,9-12,15-22,37-38,41-42H,7-8,13-14,23-30H2;4-6,8-9,16,19H,7,10-14H2,1-3H3;1-8H;7-8H,4-6H2,1-3H3/t43-,44-;37-,38-;16-;;8-/m000.0/s1
InChIKeySCPRTAYJLVMMRO-KYDBEYKRSA-N
XLogP24.66
TPSA286.70 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds35
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002212.71
LogP ≤ 524.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[[4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]benzoyl]-(2-phenylethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(2-phenylethylamino)methyl]pyrrolidine-1-carboxylate;4-(4-carbonochloridoylphenyl)benzoyl chloride;N-(2-phenylethyl)-4-[4-[2-phenylethyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]phenyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide with MolForge

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Related Compounds

tert-butyl N-[(1S)-2-[[(1S)-1-cyclohexyl-2-[(2S)-2-[[[4-[4-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-cyclopropyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetyl]amino]acetyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]benzoyl]-(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-1-cyclopropyl-2-oxoethyl]-N-methylcarbamate;N-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-cyclopropyl-2-(methylamino)acetyl]amino]acetyl]pyrrolidin-2-yl]methyl]-4-[4-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-cyclopropyl-2-(methylamino)acetyl]amino]acetyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]-N-(2-phenylethyl)benzamide;(2S)-2-cyclopropyl-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 160652490
N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-4-[4-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2R)-2-methylbutanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenoxy]-N-(2-phenylethyl)benzamide
CID 157412817
benzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine)
CID 160744211
N-[[(2S)-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]pyrrolidin-2-yl]methyl]-4-[4-[[(2S)-1-[(2S)-2-[[(2S)-2-(methylamino)propanoyl]amino]-2-phenylacetyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]-N-(2-phenylethyl)benzamide
CID 88926962
tert-butyl 2-[(2-phenylsulfanylethylamino)methyl]pyrrolidine-1-carboxylate
CID 106638013
4-(aminomethyl)-N-[[(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]pyrrolidin-2-yl]methyl]-N-(2-phenylethyl)benzamide
CID 15947861
tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[(3,4-dimethoxybenzoyl)-(naphthalen-2-ylmethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(naphthalen-2-ylmethylamino)methyl]pyrrolidine-1-carboxylate;N-[[(2S)-1-(cyclohex-3-en-1-ylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-3,4-dimethoxy-N-(naphthalen-2-ylmethyl)benzamide;3,4-dimethoxy-N-(naphthalen-2-ylmethyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;naphthalene-2-carbaldehyde
CID 160598732
tert-butyl (2R)-2-[[ethyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 131108775
bis[(2S)-3-[(2S)-2-[[benzoyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-2-[[(2S)-2-(methylamino)propanoyl]amino]-3-oxopropyl] benzene-1,4-dicarboxylate;bis[(2S)-3-[(2S)-2-[[benzoyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-oxopropyl] benzene-1,4-dicarboxylate;tert-butyl N-[(2S)-1-[[(2S)-1-[(2S)-2-[[benzoyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]-N-methylcarbamate;dihydrochloride
CID 169430734
tert-butyl (2S)-2-[[methyl(phenylmethoxycarbonyl)amino]methyl]pyrrolidine-1-carboxylate
CID 168883355
1-O-[(2S)-3-[(2S)-2-[[benzoyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-2-[[(2S)-2-(methylamino)propanoyl]amino]-3-oxopropyl] 3-O-[(2S)-3-[(2S)-2-[[benzoyl(2-phenylethyl)amino]methyl]pyrrolidin-1-yl]-2-[[(2S)-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoyl]amino]-3-oxopropyl] benzene-1,3-dicarboxylate
CID 24876800
tert-butyl 2-[[2-(diethylamino)ethylamino]methyl]pyrrolidine-1-carboxylate
CID 106636392

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[[4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]benzoyl]-(2-phenylethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(2-phenylethylamino)methyl]pyrrolidine-1-carboxylate;4-(4-carbonochloridoylphenyl)benzoyl chloride;N-(2-phenylethyl)-4-[4-[2-phenylethyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]phenyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide?
The IUPAC name of tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[[4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]benzoyl]-(2-phenylethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(2-phenylethylamino)methyl]pyrrolidine-1-carboxylate;4-(4-carbonochloridoylphenyl)benzoyl chloride;N-(2-phenylethyl)-4-[4-[2-phenylethyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]phenyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide (CID 160797402) is tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[[4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]benzoyl]-(2-phenylethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(2-phenylethylamino)methyl]pyrrolidine-1-carboxylate;4-(4-carbonochloridoylphenyl)benzoyl chloride;N-(2-phenylethyl)-4-[4-[2-phenylethyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]phenyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide.
What is the SMILES notation for tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[[4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]benzoyl]-(2-phenylethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(2-phenylethylamino)methyl]pyrrolidine-1-carboxylate;4-(4-carbonochloridoylphenyl)benzoyl chloride;N-(2-phenylethyl)-4-[4-[2-phenylethyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]phenyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide?
The canonical SMILES for tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[[4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]benzoyl]-(2-phenylethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(2-phenylethylamino)methyl]pyrrolidine-1-carboxylate;4-(4-carbonochloridoylphenyl)benzoyl chloride;N-(2-phenylethyl)-4-[4-[2-phenylethyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]phenyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide is CC(C)(C)OC(=O)N1CCC[C@H]1C=O.CC(C)(C)OC(=O)N1CCC[C@H]1CN(CCc1ccccc1)C(=O)c1ccc(-c2ccc(C(=O)N(CCc3ccccc3)C[C@@H]3CCCN3C(=O)OC(C)(C)C)cc2)cc1.CC(C)(C)OC(=O)N1CCC[C@H]1CNCCc1ccccc1.O=C(Cl)c1ccc(-c2ccc(C(=O)Cl)cc2)cc1.O=C(c1ccc(-c2ccc(C(=O)N(CCc3ccccc3)C[C@@H]3CCCN3)cc2)cc1)N(CCc1ccccc1)C[C@@H]1CCCN1.
What is the InChIKey of tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[[4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]benzoyl]-(2-phenylethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(2-phenylethylamino)methyl]pyrrolidine-1-carboxylate;4-(4-carbonochloridoylphenyl)benzoyl chloride;N-(2-phenylethyl)-4-[4-[2-phenylethyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]phenyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide?
The InChIKey is SCPRTAYJLVMMRO-KYDBEYKRSA-N. The full InChI is InChI=1S/C50H62N4O6.C40H46N4O2.C18H28N2O2.C14H8Cl2O2.C10H17NO3/c1-49(2,3)59-47(57)53-31-13-19-43(53)35-51(33-29-37-15-9-7-10-16-37)45(55)41-25-21-39(22-26-41)40-23-27-42(28-24-40)46(56)52(34-30-38-17-11-8-12-18-38)36-44-20-14-32-54(44)48(58)60-50(4,5)6;45-39(43(29-37-13-7-25-41-37)27-23-31-9-3-1-4-10-31)35-19-15-33(16-20-35)34-17-21-36(22-18-34)40(46)44(30-38-14-8-26-42-38)28-24-32-11-5-2-6-12-32;1-18(2,3)22-17(21)20-13-7-10-16(20)14-19-12-11-15-8-5-4-6-9-15;15-13(17)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(16)18;1-10(2,3)14-9(13)11-6-4-5-8(11)7-12/h7-12,15-18,21-28,43-44H,13-14,19-20,29-36H2,1-6H3;1-6,9-12,15-22,37-38,41-42H,7-8,13-14,23-30H2;4-6,8-9,16,19H,7,10-14H2,1-3H3;1-8H;7-8H,4-6H2,1-3H3/t43-,44-;37-,38-;16-;;8-/m000.0/s1.
What are the key properties of tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[[4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]benzoyl]-(2-phenylethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(2-phenylethylamino)methyl]pyrrolidine-1-carboxylate;4-(4-carbonochloridoylphenyl)benzoyl chloride;N-(2-phenylethyl)-4-[4-[2-phenylethyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]phenyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide?
tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[[4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]benzoyl]-(2-phenylethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(2-phenylethylamino)methyl]pyrrolidine-1-carboxylate;4-(4-carbonochloridoylphenyl)benzoyl chloride;N-(2-phenylethyl)-4-[4-[2-phenylethyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]phenyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide has a molecular weight of 2212.71 g/mol, XLogP of 24.66, 35 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-formylpyrrolidine-1-carboxylate;tert-butyl (2S)-2-[[[4-[4-[[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]methyl-(2-phenylethyl)carbamoyl]phenyl]benzoyl]-(2-phenylethyl)amino]methyl]pyrrolidine-1-carboxylate;tert-butyl (2S)-2-[(2-phenylethylamino)methyl]pyrrolidine-1-carboxylate;4-(4-carbonochloridoylphenyl)benzoyl chloride;N-(2-phenylethyl)-4-[4-[2-phenylethyl-[[(2S)-pyrrolidin-2-yl]methyl]carbamoyl]phenyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide is sourced from PubChem (CID 160797402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).