(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(7-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide

C116H136F2N14O8S4 — CID 159501591

IUPAC(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(7-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)cccc2s1)C(C)(C)C.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)cccc2s1)c1ccccc1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)cc(F)cc2s1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)ccc(F)c2s1)C1CCCCC1
InChIInChI=1S/C30H31N3O2S.2C29H35FN4O2S.C28H35N3O2S/c1-3-20(2)28(34)31-26(22-14-8-5-9-15-22)30(35)33-19-11-17-24(33)29-32-27-23(16-10-18-25(27)36-29)21-12-6-4-7-13-21;1-18(31-2)27(35)32-24(20-12-7-4-8-13-20)29(36)34-17-9-14-23(34)28-33-25-21(19-10-5-3-6-11-19)15-16-22(30)26(25)37-28;1-18(31-2)27(35)32-25(20-12-7-4-8-13-20)29(36)34-15-9-14-23(34)28-33-26-22(19-10-5-3-6-11-19)16-21(30)17-24(26)37-28;1-6-18(2)25(32)30-24(28(3,4)5)27(33)31-17-11-15-21(31)26-29-23-20(14-10-16-22(23)34-26)19-12-8-7-9-13-19/h4-10,12-16,18,20,24,26H,3,11,17,19H2,1-2H3,(H,31,34);3,5-6,10-11,15-16,18,20,23-24,31H,4,7-9,12-14,17H2,1-2H3,(H,32,35);3,5-6,10-11,16-18,20,23,25,31H,4,7-9,12-15H2,1-2H3,(H,32,35);7-10,12-14,16,18,21,24H,6,11,15,17H2,1-5H3,(H,30,32)/t20-,24+,26+;18-,23-,24-;18-,23-,25-;18-,21+,24-/m1001/s1
InChIKeyLZLJPVLSNRBQNX-YXXGFFRRSA-N
MW2020.72 g/mol
LogP23.61
Rot. Bonds27

About (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(7-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide

(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(7-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide (PubChem CID 159501591) has the molecular formula C116H136F2N14O8S4 and a molecular weight of 2020.72 g/mol. Its IUPAC name is (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(7-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide.

Molecular Properties

Compound Name(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(7-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide
PubChem CID159501591
Molecular FormulaC116H136F2N14O8S4
Molecular Weight2020.72 g/mol
Exact Mass2018.95
IUPAC Name(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(7-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide
SMILESCC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)cccc2s1)C(C)(C)C.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)cccc2s1)c1ccccc1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)cc(F)cc2s1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)ccc(F)c2s1)C1CCCCC1
InChIInChI=1S/C30H31N3O2S.2C29H35FN4O2S.C28H35N3O2S/c1-3-20(2)28(34)31-26(22-14-8-5-9-15-22)30(35)33-19-11-17-24(33)29-32-27-23(16-10-18-25(27)36-29)21-12-6-4-7-13-21;1-18(31-2)27(35)32-24(20-12-7-4-8-13-20)29(36)34-17-9-14-23(34)28-33-25-21(19-10-5-3-6-11-19)15-16-22(30)26(25)37-28;1-18(31-2)27(35)32-25(20-12-7-4-8-13-20)29(36)34-15-9-14-23(34)28-33-26-22(19-10-5-3-6-11-19)16-21(30)17-24(26)37-28;1-6-18(2)25(32)30-24(28(3,4)5)27(33)31-17-11-15-21(31)26-29-23-20(14-10-16-22(23)34-26)19-12-8-7-9-13-19/h4-10,12-16,18,20,24,26H,3,11,17,19H2,1-2H3,(H,31,34);3,5-6,10-11,15-16,18,20,23-24,31H,4,7-9,12-14,17H2,1-2H3,(H,32,35);3,5-6,10-11,16-18,20,23,25,31H,4,7-9,12-15H2,1-2H3,(H,32,35);7-10,12-14,16,18,21,24H,6,11,15,17H2,1-5H3,(H,30,32)/t20-,24+,26+;18-,23-,24-;18-,23-,25-;18-,21+,24-/m1001/s1
InChIKeyLZLJPVLSNRBQNX-YXXGFFRRSA-N
XLogP23.61
TPSA273.26 Ų
H-Bond Donors6
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002020.72
LogP ≤ 523.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1018

Analyze (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(7-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide with MolForge

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Related Compounds

N-{(1s)-1-Cyclohexyl-2-Oxo-2-[(2s)-2-(4-Phenyl-1,3-Benzothiazol-2-Yl)pyrrolidin-1-Yl]ethyl}-N~2~-Methyl-L-Alaninamide
CID 44820627
(S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-isopropylbenzo[d]thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)-2-(methylamino)propanamide
CID 46883882
(S)-N-((S)-2-((S)-2-(4-benzylbenzo[d]thiazol-2-yl)pyrrolidin-1-yl)-1-cyclohexyl-2-oxoethyl)-2-(methylamino)propanamide
CID 46883883
(2S)-N-((1S)-1-cyclohexyl-2-((2S)-2-(4-(2-fluorophenyl)benzo[d]thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)-2-(methylamino)propanamide
CID 46883993
(S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(3-fluorophenyl)benzo[d]thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)-2-(methylamino)propanamide
CID 46883994
(S)-N-((S)-1-cyclohexyl-2-((S)-2-(4-(4-fluorophenyl)benzo[d]thiazol-2-yl)pyrrolidin-1-yl)-2-oxoethyl)-2-(methylamino)propanamide
CID 46884021
(3S,3aS,6aR)-2-[(2S)-2-[[2-(1-adamantyl)acetyl]amino]-3,3-dimethylbutanoyl]-N-[(2S)-1-(1,3-benzothiazol-2-yl)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxamide
CID 172451856
[(2S)-1-[[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]amino]-1-oxopropan-2-yl]-methylazanium
CID 72199944
(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(7-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 57856513
(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide
CID 57856530
(2S)-N-(2-tert-butyl-4-phenyl-1,3-thiazol-5-yl)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(2-methylsulfanyl-4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-[4-phenyl-5-(trifluoromethyl)thiophen-3-yl]pyrrolidine-2-carboxamide;[5-[[(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-phenyl-1,3-thiazol-2-yl]-hydroxy-methylsulfanium
CID 158161869
N-[(2S)-1-(1,3-benzothiazol-2-yl)-7-imino-1-oxooctan-2-yl]benzamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-7-imino-1-oxooctan-2-yl]butanamide;(3S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-7-imino-1-oxooctan-2-yl]piperidine-3-carboxamide;(3S)-N-[(2S)-1-(1,3-benzothiazol-2-yl)-7-imino-1-oxooctan-2-yl]pyrrolidine-3-carboxamide;N-[(2S)-1-(1,3-benzothiazol-2-yl)-7-imino-1-oxooctan-2-yl]-2-(trifluoromethyl)benzamide;cis-(1S,3R)-3-amino-N-[(2S)-1-(1,3-benzothiazol-2-yl)-7-imino-1-oxooctan-2-yl]cyclopentane-1-carboxamide
CID 158252984

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(7-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide?
The IUPAC name of (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(7-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide (CID 159501591) is (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(7-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide.
What is the SMILES notation for (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(7-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide?
The canonical SMILES for (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(7-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide is CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)cccc2s1)C(C)(C)C.CC[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)cccc2s1)c1ccccc1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)cc(F)cc2s1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(-c3ccccc3)ccc(F)c2s1)C1CCCCC1.
What is the InChIKey of (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(7-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide?
The InChIKey is LZLJPVLSNRBQNX-YXXGFFRRSA-N. The full InChI is InChI=1S/C30H31N3O2S.2C29H35FN4O2S.C28H35N3O2S/c1-3-20(2)28(34)31-26(22-14-8-5-9-15-22)30(35)33-19-11-17-24(33)29-32-27-23(16-10-18-25(27)36-29)21-12-6-4-7-13-21;1-18(31-2)27(35)32-24(20-12-7-4-8-13-20)29(36)34-17-9-14-23(34)28-33-25-21(19-10-5-3-6-11-19)15-16-22(30)26(25)37-28;1-18(31-2)27(35)32-25(20-12-7-4-8-13-20)29(36)34-15-9-14-23(34)28-33-26-22(19-10-5-3-6-11-19)16-21(30)17-24(26)37-28;1-6-18(2)25(32)30-24(28(3,4)5)27(33)31-17-11-15-21(31)26-29-23-20(14-10-16-22(23)34-26)19-12-8-7-9-13-19/h4-10,12-16,18,20,24,26H,3,11,17,19H2,1-2H3,(H,31,34);3,5-6,10-11,15-16,18,20,23-24,31H,4,7-9,12-14,17H2,1-2H3,(H,32,35);3,5-6,10-11,16-18,20,23,25,31H,4,7-9,12-15H2,1-2H3,(H,32,35);7-10,12-14,16,18,21,24H,6,11,15,17H2,1-5H3,(H,30,32)/t20-,24+,26+;18-,23-,24-;18-,23-,25-;18-,21+,24-/m1001/s1.
What are the key properties of (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(7-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide?
(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(7-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide has a molecular weight of 2020.72 g/mol, XLogP of 23.61, 27 rotatable bonds, 6 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(6-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(7-fluoro-4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-(methylamino)propanamide;(2R)-N-[(2S)-3,3-dimethyl-1-oxo-1-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]butan-2-yl]-2-methylbutanamide;(2R)-2-methyl-N-[(1S)-2-oxo-1-phenyl-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]butanamide is sourced from PubChem (CID 159501591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).