(2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide

C104H138N22O11S4 — CID 158059915

IUPAC(2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide
SMILESCC(NCC1CC1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1scnc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)NNc1nc2c(-c3ccccc3)cccc2s1)C1CCCCC1.CN[C@H](C)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C28H38N6O3S.C26H35N5O3S.C25H34N6O3S.C25H31N5O2S/c1-18(29-17-19-14-15-19)25(35)30-24(21-11-6-3-7-12-21)28(37)34-16-8-13-22(34)26(36)31-27-23(32-33-38-27)20-9-4-2-5-10-20;1-17(27-2)23(32)29-22(19-12-7-4-8-13-19)26(34)31-15-9-14-20(31)24(33)30-25-21(28-16-35-25)18-10-5-3-6-11-18;1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17;1-16(26-2)23(31)27-21(18-12-7-4-8-13-18)24(32)29-30-25-28-22-19(14-9-15-20(22)33-25)17-10-5-3-6-11-17/h2,4-5,9-10,18-19,21-22,24,29H,3,6-8,11-17H2,1H3,(H,30,35)(H,31,36);3,5-6,10-11,16-17,19-20,22,27H,4,7-9,12-15H2,1-2H3,(H,29,32)(H,30,33);3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33);3,5-6,9-11,14-16,18,21,26H,4,7-8,12-13H2,1-2H3,(H,27,31)(H,28,30)(H,29,32)/t18?,22-,24-;17-,20-,22-;16-,19-,21-;16-,21-/m0010/s1
InChIKeyFKMYXHKVIWMSMB-OWTXGXOYSA-N
MW2000.66 g/mol
LogP13.89
Rot. Bonds34

About (2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide

(2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide (PubChem CID 158059915) has the molecular formula C104H138N22O11S4 and a molecular weight of 2000.66 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide
PubChem CID158059915
Molecular FormulaC104H138N22O11S4
Molecular Weight2000.66 g/mol
Exact Mass1998.98
IUPAC Name(2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide
SMILESCC(NCC1CC1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1scnc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)NNc1nc2c(-c3ccccc3)cccc2s1)C1CCCCC1.CN[C@H](C)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1
InChIInChI=1S/C28H38N6O3S.C26H35N5O3S.C25H34N6O3S.C25H31N5O2S/c1-18(29-17-19-14-15-19)25(35)30-24(21-11-6-3-7-12-21)28(37)34-16-8-13-22(34)26(36)31-27-23(32-33-38-27)20-9-4-2-5-10-20;1-17(27-2)23(32)29-22(19-12-7-4-8-13-19)26(34)31-15-9-14-20(31)24(33)30-25-21(28-16-35-25)18-10-5-3-6-11-18;1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17;1-16(26-2)23(31)27-21(18-12-7-4-8-13-18)24(32)29-30-25-28-22-19(14-9-15-20(22)33-25)17-10-5-3-6-11-17/h2,4-5,9-10,18-19,21-22,24,29H,3,6-8,11-17H2,1H3,(H,30,35)(H,31,36);3,5-6,10-11,16-17,19-20,22,27H,4,7-9,12-15H2,1-2H3,(H,29,32)(H,30,33);3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33);3,5-6,9-11,14-16,18,21,26H,4,7-8,12-13H2,1-2H3,(H,27,31)(H,28,30)(H,29,32)/t18?,22-,24-;17-,20-,22-;16-,19-,21-;16-,21-/m0010/s1
InChIKeyFKMYXHKVIWMSMB-OWTXGXOYSA-N
XLogP13.89
TPSA431.22 Ų
H-Bond Donors13
H-Bond Acceptors26
Rotatable Bonds34
Heavy Atoms141
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002000.66
LogP ≤ 513.89
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide with MolForge

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Related Compounds

(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide
CID 157081723
(2S)-N-(5-chloro-3-phenylthiophen-2-yl)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide;(2S)-1-[(2S)-3,3-dimethyl-2-[[(2S)-2-(methylamino)propanoyl]amino]butanoyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide
CID 157969752
(2R)-N-[(1S)-2-[(2S)-2-(4-benzyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-1-cyclohexyl-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-[(2S)-2-(4-methyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-phenyl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide;(2R)-N-[(1S)-1-cyclohexyl-2-oxo-2-[(2S)-2-(4-propan-2-yl-1,3-benzothiazol-2-yl)pyrrolidin-1-yl]ethyl]-2-methylbutanamide
CID 158652726
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide
CID 159493422
(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(5-methyl-3-phenylthiophen-2-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-2-sulfamoyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2R)-2-methylbutanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-3-[(4-phenyl-1,3-benzothiazol-2-yl)amino]propyl]-2-(methylamino)propanamide;(2S)-N-[(1R)-1-cyclohexyl-2-oxo-2-[(2R)-2-[2-(4-phenylthiadiazol-5-yl)acetyl]pyrrolidin-1-yl]ethyl]-2-methylbutanamide
CID 161340238

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide (CID 158059915) is (2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide is CC(NCC1CC1)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)Nc1scnc1-c1ccccc1)C1CCCCC1.CN[C@@H](C)C(=O)N[C@H](C(=O)NNc1nc2c(-c3ccccc3)cccc2s1)C1CCCCC1.CN[C@H](C)C(=O)N[C@@H](C(=O)N1CCC[C@@H]1C(=O)Nc1snnc1-c1ccccc1)C1CCCCC1.
What is the InChIKey of (2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide?
The InChIKey is FKMYXHKVIWMSMB-OWTXGXOYSA-N. The full InChI is InChI=1S/C28H38N6O3S.C26H35N5O3S.C25H34N6O3S.C25H31N5O2S/c1-18(29-17-19-14-15-19)25(35)30-24(21-11-6-3-7-12-21)28(37)34-16-8-13-22(34)26(36)31-27-23(32-33-38-27)20-9-4-2-5-10-20;1-17(27-2)23(32)29-22(19-12-7-4-8-13-19)26(34)31-15-9-14-20(31)24(33)30-25-21(28-16-35-25)18-10-5-3-6-11-18;1-16(26-2)22(32)27-21(18-12-7-4-8-13-18)25(34)31-15-9-14-19(31)23(33)28-24-20(29-30-35-24)17-10-5-3-6-11-17;1-16(26-2)23(31)27-21(18-12-7-4-8-13-18)24(32)29-30-25-28-22-19(14-9-15-20(22)33-25)17-10-5-3-6-11-17/h2,4-5,9-10,18-19,21-22,24,29H,3,6-8,11-17H2,1H3,(H,30,35)(H,31,36);3,5-6,10-11,16-17,19-20,22,27H,4,7-9,12-15H2,1-2H3,(H,29,32)(H,30,33);3,5-6,10-11,16,18-19,21,26H,4,7-9,12-15H2,1-2H3,(H,27,32)(H,28,33);3,5-6,9-11,14-16,18,21,26H,4,7-8,12-13H2,1-2H3,(H,27,31)(H,28,30)(H,29,32)/t18?,22-,24-;17-,20-,22-;16-,19-,21-;16-,21-/m0010/s1.
What are the key properties of (2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide?
(2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide has a molecular weight of 2000.66 g/mol, XLogP of 13.89, 34 rotatable bonds, 13 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-cyclohexyl-2-[2-(cyclopropylmethylamino)propanoylamino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2R)-1-[(2R)-2-cyclohexyl-2-[[(2R)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenylthiadiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-1-[(2S)-2-cyclohexyl-2-[[(2S)-2-(methylamino)propanoyl]amino]acetyl]-N-(4-phenyl-1,3-thiazol-5-yl)pyrrolidine-2-carboxamide;(2S)-N-[(1S)-1-cyclohexyl-2-oxo-2-[2-(4-phenyl-1,3-benzothiazol-2-yl)hydrazinyl]ethyl]-2-(methylamino)propanamide is sourced from PubChem (CID 158059915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).