benzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;hexakis(carbon dioxide);2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide

C217H199F10N15O24 — CID 159734576

IUPACbenzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;hexakis(carbon dioxide);2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
SMILESCc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)[C@@H]3CCCN3C(=O)OCc3ccccc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)[C@@H]3CCN(C(=O)OCc4ccccc4)C3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)[C@H]3CCCN3C(=O)OCc3ccccc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3c(F)ccc(F)c3F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3c(F)ccc(F)c3F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3cc(F)ccc3C(F)(F)F)cc12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/3C38H39N3O3.C33H28F4N2O.2C32H27F3N2O.6CO2/c2*1-26-28(3)41(24-29-16-18-32(19-17-29)31-13-8-5-9-14-31)36-21-20-33(23-34(26)36)37(42)39-27(2)35-15-10-22-40(35)38(43)44-25-30-11-6-4-7-12-30;1-26-28(3)41(23-29-14-16-32(17-15-29)31-12-8-5-9-13-31)36-19-18-33(22-35(26)36)37(42)39-27(2)34-20-21-40(24-34)38(43)44-25-30-10-6-4-7-11-30;1-20-22(3)39(19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)31-16-13-26(17-28(20)31)32(40)38-21(2)29-18-27(34)14-15-30(29)33(35,36)37;2*1-19-21(3)37(18-22-9-11-24(12-10-22)23-7-5-4-6-8-23)29-16-13-25(17-26(19)29)32(38)36-20(2)30-27(33)14-15-28(34)31(30)35;6*2-1-3/h2*4-9,11-14,16-21,23,27,35H,10,15,22,24-25H2,1-3H3,(H,39,42);4-19,22,27,34H,20-21,23-25H2,1-3H3,(H,39,42);4-18,21H,19H2,1-3H3,(H,38,40);2*4-17,20H,18H2,1-3H3,(H,36,38);;;;;;/t27-,35+;27-,35-;27-,34+;21-;2*20-;;;;;;/m000110....../s1
InChIKeyNBRBAUJUCARAAF-NDLZZOLBSA-N
MW3591.04 g/mol
LogP44.42
Rot. Bonds42

About benzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;hexakis(carbon dioxide);2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide

benzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;hexakis(carbon dioxide);2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide (PubChem CID 159734576) has the molecular formula C217H199F10N15O24 and a molecular weight of 3591.04 g/mol. Its IUPAC name is benzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;hexakis(carbon dioxide);2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide.

Molecular Properties

Compound Namebenzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;hexakis(carbon dioxide);2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
PubChem CID159734576
Molecular FormulaC217H199F10N15O24
Molecular Weight3591.04 g/mol
Exact Mass3588.47
IUPAC Namebenzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;hexakis(carbon dioxide);2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide
SMILESCc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)[C@@H]3CCCN3C(=O)OCc3ccccc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)[C@@H]3CCN(C(=O)OCc4ccccc4)C3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)[C@H]3CCCN3C(=O)OCc3ccccc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3c(F)ccc(F)c3F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3c(F)ccc(F)c3F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3cc(F)ccc3C(F)(F)F)cc12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O
InChIInChI=1S/3C38H39N3O3.C33H28F4N2O.2C32H27F3N2O.6CO2/c2*1-26-28(3)41(24-29-16-18-32(19-17-29)31-13-8-5-9-14-31)36-21-20-33(23-34(26)36)37(42)39-27(2)35-15-10-22-40(35)38(43)44-25-30-11-6-4-7-12-30;1-26-28(3)41(23-29-14-16-32(17-15-29)31-12-8-5-9-13-31)36-19-18-33(22-35(26)36)37(42)39-27(2)34-20-21-40(24-34)38(43)44-25-30-10-6-4-7-11-30;1-20-22(3)39(19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)31-16-13-26(17-28(20)31)32(40)38-21(2)29-18-27(34)14-15-30(29)33(35,36)37;2*1-19-21(3)37(18-22-9-11-24(12-10-22)23-7-5-4-6-8-23)29-16-13-25(17-26(19)29)32(38)36-20(2)30-27(33)14-15-28(34)31(30)35;6*2-1-3/h2*4-9,11-14,16-21,23,27,35H,10,15,22,24-25H2,1-3H3,(H,39,42);4-19,22,27,34H,20-21,23-25H2,1-3H3,(H,39,42);4-18,21H,19H2,1-3H3,(H,38,40);2*4-17,20H,18H2,1-3H3,(H,36,38);;;;;;/t27-,35+;27-,35-;27-,34+;21-;2*20-;;;;;;/m000110....../s1
InChIKeyNBRBAUJUCARAAF-NDLZZOLBSA-N
XLogP44.42
TPSA497.64 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds42
Heavy Atoms266
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003591.04
LogP ≤ 544.42
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze benzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;hexakis(carbon dioxide);2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide with MolForge

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Related Compounds

(S)-4'-((5-((1-((benzyloxy)carbonyl)pyrrolidin-3-yl)carbamoyl)-2,3-dimethyl-1H-indol-1-yl)methyl)-[1,1'-biphenyl]-2-carboxylic acid
CID 54579784
benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate
CID 71099329
benzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate
CID 71099330
benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate
CID 71099333
tert-butyl 2-[4-[[5-[[(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoate
CID 71099683
tert-butyl 2-[4-[[5-[[(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoate
CID 71109387
tert-butyl 2-[4-[[5-[[(1S)-1-[2-fluoro-3-(trifluoromethyl)phenyl]ethyl]carbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoate
CID 71109872
Tert-butyl 2-[4-[[5-[1-[2-fluoro-6-(trifluoromethyl)phenyl]ethylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoate
CID 78008392
Tert-butyl 2-[4-[[5-[1-[2-fluoro-4-(trifluoromethyl)phenyl]ethylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoate
CID 78011155
Tert-butyl 2-[4-[[5-[1-[2-fluoro-3-(trifluoromethyl)phenyl]ethylcarbamoyl]-2,3-dimethylindol-1-yl]methyl]phenyl]benzoate
CID 78011297
N-[(1S)-1-(3-tert-butylphenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;pentakis(carbon dioxide);N-[(S)-cyclopropyl-(3-propan-2-ylphenyl)methyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;N-[(1R)-1-(2,6-dichlorophenyl)ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[2,2,2-trifluoro-1-(3-propan-2-ylphenyl)ethyl]indole-5-carboxamide;2-[4-[[2-methyl-5-(1-phenylpropylcarbamoyl)indol-1-yl]methyl]phenyl]benzoic acid
CID 157533360
CID 157612956
CID 157612956

Frequently Asked Questions

What is the IUPAC name of benzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;hexakis(carbon dioxide);2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?
The IUPAC name of benzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;hexakis(carbon dioxide);2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide (CID 159734576) is benzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;hexakis(carbon dioxide);2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide.
What is the SMILES notation for benzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;hexakis(carbon dioxide);2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?
The canonical SMILES for benzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;hexakis(carbon dioxide);2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide is Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)[C@@H]3CCCN3C(=O)OCc3ccccc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)[C@@H]3CCN(C(=O)OCc4ccccc4)C3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)[C@H]3CCCN3C(=O)OCc3ccccc3)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@@H](C)c3c(F)ccc(F)c3F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3c(F)ccc(F)c3F)cc12.Cc1c(C)n(Cc2ccc(-c3ccccc3)cc2)c2ccc(C(=O)N[C@H](C)c3cc(F)ccc3C(F)(F)F)cc12.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.O=C=O.
What is the InChIKey of benzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;hexakis(carbon dioxide);2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?
The InChIKey is NBRBAUJUCARAAF-NDLZZOLBSA-N. The full InChI is InChI=1S/3C38H39N3O3.C33H28F4N2O.2C32H27F3N2O.6CO2/c2*1-26-28(3)41(24-29-16-18-32(19-17-29)31-13-8-5-9-14-31)36-21-20-33(23-34(26)36)37(42)39-27(2)35-15-10-22-40(35)38(43)44-25-30-11-6-4-7-12-30;1-26-28(3)41(23-29-14-16-32(17-15-29)31-12-8-5-9-13-31)36-19-18-33(22-35(26)36)37(42)39-27(2)34-20-21-40(24-34)38(43)44-25-30-10-6-4-7-11-30;1-20-22(3)39(19-23-9-11-25(12-10-23)24-7-5-4-6-8-24)31-16-13-26(17-28(20)31)32(40)38-21(2)29-18-27(34)14-15-30(29)33(35,36)37;2*1-19-21(3)37(18-22-9-11-24(12-10-22)23-7-5-4-6-8-23)29-16-13-25(17-26(19)29)32(38)36-20(2)30-27(33)14-15-28(34)31(30)35;6*2-1-3/h2*4-9,11-14,16-21,23,27,35H,10,15,22,24-25H2,1-3H3,(H,39,42);4-19,22,27,34H,20-21,23-25H2,1-3H3,(H,39,42);4-18,21H,19H2,1-3H3,(H,38,40);2*4-17,20H,18H2,1-3H3,(H,36,38);;;;;;/t27-,35+;27-,35-;27-,34+;21-;2*20-;;;;;;/m000110....../s1.
What are the key properties of benzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;hexakis(carbon dioxide);2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide?
benzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;hexakis(carbon dioxide);2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide has a molecular weight of 3591.04 g/mol, XLogP of 44.42, 42 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2S)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (2R)-2-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;benzyl (3R)-3-[(1S)-1-[[2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carbonyl]amino]ethyl]pyrrolidine-1-carboxylate;hexakis(carbon dioxide);2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1R)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;2,3-dimethyl-1-[(4-phenylphenyl)methyl]-N-[(1S)-1-(2,3,6-trifluorophenyl)ethyl]indole-5-carboxamide;N-[(1R)-1-[5-fluoro-2-(trifluoromethyl)phenyl]ethyl]-2,3-dimethyl-1-[(4-phenylphenyl)methyl]indole-5-carboxamide is sourced from PubChem (CID 159734576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).