benzyl N-[(2S)-6-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-(1H-pyrrole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

C97H107N13O16S3 — CID 160901292

IUPACbenzyl N-[(2S)-6-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-(1H-pyrrole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2s1.C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1nccs1.NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2s1.O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1ccc[nH]1)OCc1ccccc1
InChIInChI=1S/C26H30N4O4S.C26H29N3O4S.C26H27N3O4.C19H21N3O4S/c27-15-7-6-12-20(29-26(33)34-17-18-9-2-1-3-10-18)25(32)30-16-8-13-21(30)23(31)24-28-19-11-4-5-14-22(19)35-24;1-26(2,3)33-25(32)28-19(16-17-10-5-4-6-11-17)24(31)29-15-9-13-20(29)22(30)23-27-18-12-7-8-14-21(18)34-23;30-24(21-13-7-15-27-21)23-14-8-16-29(23)25(31)22(17-19-9-3-1-4-10-19)28-26(32)33-18-20-11-5-2-6-12-20;1-13(21-19(25)26-12-14-6-3-2-4-7-14)18(24)22-10-5-8-15(22)16(23)17-20-9-11-27-17/h1-5,9-11,14,20-21H,6-8,12-13,15-17,27H2,(H,29,33);4-8,10-12,14,19-20H,9,13,15-16H2,1-3H3,(H,28,32);1-7,9-13,15,22-23,27H,8,14,16-18H2,(H,28,32);2-4,6-7,9,11,13,15H,5,8,10,12H2,1H3,(H,21,25)/t20-,21-;19-,20-;22-,23-;13-,15-/m0000/s1
InChIKeySPNPYZUURZGPCS-QAJGGPGTSA-N
MW1807.20 g/mol
LogP14.86
Rot. Bonds30

About benzyl N-[(2S)-6-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-(1H-pyrrole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate

benzyl N-[(2S)-6-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-(1H-pyrrole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate (PubChem CID 160901292) has the molecular formula C97H107N13O16S3 and a molecular weight of 1807.20 g/mol. Its IUPAC name is benzyl N-[(2S)-6-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-(1H-pyrrole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(2S)-6-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-(1H-pyrrole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
PubChem CID160901292
Molecular FormulaC97H107N13O16S3
Molecular Weight1807.20 g/mol
Exact Mass1805.71
IUPAC Namebenzyl N-[(2S)-6-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-(1H-pyrrole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2s1.C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1nccs1.NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2s1.O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1ccc[nH]1)OCc1ccccc1
InChIInChI=1S/C26H30N4O4S.C26H29N3O4S.C26H27N3O4.C19H21N3O4S/c27-15-7-6-12-20(29-26(33)34-17-18-9-2-1-3-10-18)25(32)30-16-8-13-21(30)23(31)24-28-19-11-4-5-14-22(19)35-24;1-26(2,3)33-25(32)28-19(16-17-10-5-4-6-11-17)24(31)29-15-9-13-20(29)22(30)23-27-18-12-7-8-14-21(18)34-23;30-24(21-13-7-15-27-21)23-14-8-16-29(23)25(31)22(17-19-9-3-1-4-10-19)28-26(32)33-18-20-11-5-2-6-12-20;1-13(21-19(25)26-12-14-6-3-2-4-7-14)18(24)22-10-5-8-15(22)16(23)17-20-9-11-27-17/h1-5,9-11,14,20-21H,6-8,12-13,15-17,27H2,(H,29,33);4-8,10-12,14,19-20H,9,13,15-16H2,1-3H3,(H,28,32);1-7,9-13,15,22-23,27H,8,14,16-18H2,(H,28,32);2-4,6-7,9,11,13,15H,5,8,10,12H2,1H3,(H,21,25)/t20-,21-;19-,20-;22-,23-;13-,15-/m0000/s1
InChIKeySPNPYZUURZGPCS-QAJGGPGTSA-N
XLogP14.86
TPSA383.32 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds30
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001807.20
LogP ≤ 514.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze benzyl N-[(2S)-6-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-(1H-pyrrole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate with MolForge

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Related Compounds

benzyl N-[(2S)-1-[(4R)-4-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-phenylpropan-2-yl]carbamoyl]-2-phenyl-1,3-thiazolidin-3-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 70156244
Cbz-Phe-Ala-benzothiazol-2-yl.Cbz-Ala-Pro-benzothiazol-2-yl.Alloc-Phe-Pro-benzothiazol-2-yl.Cbz-Arg-Pro-benzothiazol-2-yl.Cbz-Phe-Pro-thiazol-2-yl.Cbz-Asp-Pro-benzothiazol-2-yl
CID 157097227
2-[bis(1H-pyrrol-2-yl)methyl]-1,3-thiazole;manganese(3+);methane;methyl 4-formylbenzoate;methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(3-methyl-1,3-thiazol-3-ium-2-yl)porphyrin-22,24-diid-5-yl]benzoate;methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1,3-thiazol-2-yl)-21,23-dihydroporphyrin-5-yl]benzoate;1H-pyrrole;1,3-thiazole-2-carbaldehyde
CID 157109763
methyl 2-[1-[(2-amino-3-methylbutanoyl)oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-[1-(2,2-dimethylpropanoyloxymethyl)indole-3-carbonyl]-1,3-thiazole-4-carboxylate;methyl 2-(1H-indol-3-ylmethyl)-1,3-thiazole-4-carboxylate;methyl 2-[1-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoyl]oxymethyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylate
CID 157651237
N-[(2S)-6-amino-1-(1,3-benzothiazol-2-yl)-1-oxohexan-2-yl]pyridine-4-carboxamide;benzyl N-[(5S)-5-(aminoiodanuidylmethyl)-6-(1,3-benzothiazol-2-yl)-6-oxohexyl]carbamate;benzyl N-[(5S)-6-(1,3-benzothiazol-2-yl)-6-oxo-5-(pyridine-4-carbonylamino)hexyl]carbamate;pyridine-4-carboxylic acid
CID 157763926
2-[bis(1H-pyrrol-2-yl)methyl]-1,3-thiazole;manganese(3+);methyl 4-formylbenzoate;methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(3-methyl-1,3-thiazol-3-ium-2-yl)porphyrin-22,24-diid-5-yl]benzoate;methyl 4-[15-(4-methoxycarbonylphenyl)-10,20-bis(1,3-thiazol-2-yl)-21,23-dihydroporphyrin-5-yl]benzoate;1H-pyrrole;1,3-thiazole-2-carbaldehyde;trichloride
CID 157773953
N-[3-(butanoylcarbamoyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide;ethyl 3-[2-(1,3-benzothiazole-2-carbonylamino)-6-benzyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-3-oxopropanoate;ethyl N-[2-(1,3-benzothiazole-2-carbonylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl]carbamate;(4-methylphenyl)methyl N-[2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carbonyl]carbamate;(4-methylphenyl)methyl N-[2-([1,3]thiazolo[4,5-c]pyridine-2-carbonylamino)thiophene-3-carbonyl]carbamate
CID 158396088
tert-butyl 3-[methoxy(methyl)carbamoyl]indole-1-carboxylate;1H-indole-3-carboxylic acid;methyl 2-(1H-indole-3-carbonyl)-1,3-thiazole-4-carboxylate;2-[1-[(2-methylpropan-2-yl)oxycarbonyl]indole-3-carbonyl]-1,3-thiazole-4-carboxylic acid;1-[(2-methylpropan-2-yl)oxycarbonyl]indole-3-carboxylic acid;1,3-thiazole-4-carboxylic acid
CID 159175701
1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-4-yl)methanone;1H-indol-3-yl-(2-propan-2-yl-1,3-thiazol-5-yl)methanone;methyl 5-(1H-indole-3-carbonyl)-1-methylpyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)-1H-pyrrole-2-carboxylate;methyl 5-(1H-indole-3-carbonyl)thiophene-3-carboxylate
CID 159426159
benzyl (2S)-2-carbamoylpyrrolidine-1-carboxylate;ethyl carbonochloridate;(2S)-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid;propan-2-yl N-[(1R)-2-oxo-2-[(2S)-2-[5-[4-[5-[2-oxo-2-[(2S)-1-[(2R)-2-phenyl-2-(propan-2-yloxycarbonylamino)acetyl]pyrrolidin-2-yl]ethyl]-1H-indol-2-yl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]-1-phenylethyl]carbamate
CID 159494927
N-cyclohexyl-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-(2-methyl-4-oxopentan-3-yl)-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;N-[(3-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide;bis(N-[(4-methylphenyl)methyl]-2-propan-2-yl-1,3-benzothiazole-6-carboxamide);methyl 3-[[(2-propan-2-yl-1,3-benzothiazole-6-carbonyl)amino]methyl]benzoate;2-propan-2-yl-1,3-benzothiazole;2-propan-2-yl-1,3-thiazole
CID 159505943
1,3-thiazol-5-ylmethyl N-[10-amino-5-benzyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-benzyl-N-[4-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]butyl]carbamate;1,3-thiazol-5-ylmethyl N-[5-benzyl-9-methyl-8-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-1-phenyldecan-2-yl]carbamate;1,3-thiazol-5-ylmethyl N-[8-methyl-7-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-6-oxononyl]carbamate;thiophen-2-ylmethyl N-benzyl-N-[3-[benzyl-[3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanoyl]amino]propyl]carbamate
CID 159560759

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-6-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-(1H-pyrrole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate?
The IUPAC name of benzyl N-[(2S)-6-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-(1H-pyrrole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate (CID 160901292) is benzyl N-[(2S)-6-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-(1H-pyrrole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate.
What is the SMILES notation for benzyl N-[(2S)-6-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-(1H-pyrrole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate?
The canonical SMILES for benzyl N-[(2S)-6-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-(1H-pyrrole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate is CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2s1.C[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1nccs1.NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2s1.O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)c1ccc[nH]1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(2S)-6-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-(1H-pyrrole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate?
The InChIKey is SPNPYZUURZGPCS-QAJGGPGTSA-N. The full InChI is InChI=1S/C26H30N4O4S.C26H29N3O4S.C26H27N3O4.C19H21N3O4S/c27-15-7-6-12-20(29-26(33)34-17-18-9-2-1-3-10-18)25(32)30-16-8-13-21(30)23(31)24-28-19-11-4-5-14-22(19)35-24;1-26(2,3)33-25(32)28-19(16-17-10-5-4-6-11-17)24(31)29-15-9-13-20(29)22(30)23-27-18-12-7-8-14-21(18)34-23;30-24(21-13-7-15-27-21)23-14-8-16-29(23)25(31)22(17-19-9-3-1-4-10-19)28-26(32)33-18-20-11-5-2-6-12-20;1-13(21-19(25)26-12-14-6-3-2-4-7-14)18(24)22-10-5-8-15(22)16(23)17-20-9-11-27-17/h1-5,9-11,14,20-21H,6-8,12-13,15-17,27H2,(H,29,33);4-8,10-12,14,19-20H,9,13,15-16H2,1-3H3,(H,28,32);1-7,9-13,15,22-23,27H,8,14,16-18H2,(H,28,32);2-4,6-7,9,11,13,15H,5,8,10,12H2,1H3,(H,21,25)/t20-,21-;19-,20-;22-,23-;13-,15-/m0000/s1.
What are the key properties of benzyl N-[(2S)-6-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-(1H-pyrrole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate?
benzyl N-[(2S)-6-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-(1H-pyrrole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate has a molecular weight of 1807.20 g/mol, XLogP of 14.86, 30 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(2S)-6-amino-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxohexan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-3-phenyl-1-[(2S)-2-(1H-pyrrole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;benzyl N-[(2S)-1-oxo-1-[(2S)-2-(1,3-thiazole-2-carbonyl)pyrrolidin-1-yl]propan-2-yl]carbamate;tert-butyl N-[(2S)-1-[(2S)-2-(1,3-benzothiazole-2-carbonyl)pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate is sourced from PubChem (CID 160901292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).