(3S,6R,8aR)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one;(3S)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3S,6R)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazol-5-one

C137H250N20O20S2 — CID 161233815

IUPAC(3S,6R,8aR)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one;(3S)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3S,6R)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazol-5-one
SMILESCC(C)C[C@@H](C(=O)C(C)C)N1CC[C@@H](NC(C)C)C1=O.CC(C)C[C@@H](C(=O)C(C)C)N1CC[C@H](NC(C)C)C1=O.CC(C)N[C@@H]1CC2SC[C@H](C(=O)C(C)C)N2C1=O.CC(C)N[C@@H]1CCCCN(CC(=O)C(C)C)C1=O.CC(C)N[C@@H]1CCCN(CC(=O)C(C)C)C1=O.CC(C)N[C@@H]1CCN(CC(=O)C(C)C)C1=O.CC(C)N[C@@H]1CC[C@H]2SC[C@H](C(=O)C(C)C)N2C1=O.CC(C)N[C@H]1CCCCN(CC(=O)C(C)C)C1=O.CC(C)N[C@H]1CCCN(CC(=O)C(C)C)C1=O.CC(C)N[C@H]1CCN(CC(=O)C(C)C)C1=O
InChIInChI=1S/2C16H30N2O2.C14H24N2O2S.2C14H26N2O2.C13H22N2O2S.2C13H24N2O2.2C12H22N2O2/c2*1-10(2)9-14(15(19)11(3)4)18-8-7-13(16(18)20)17-12(5)6;1-8(2)13(17)11-7-19-12-6-5-10(15-9(3)4)14(18)16(11)12;2*1-10(2)13(17)9-16-8-6-5-7-12(14(16)18)15-11(3)4;1-7(2)12(16)10-6-18-11-5-9(14-8(3)4)13(17)15(10)11;2*1-9(2)12(16)8-15-7-5-6-11(13(15)17)14-10(3)4;2*1-8(2)11(15)7-14-6-5-10(12(14)16)13-9(3)4/h2*10-14,17H,7-9H2,1-6H3;8-12,15H,5-7H2,1-4H3;2*10-12,15H,5-9H2,1-4H3;7-11,14H,5-6H2,1-4H3;2*9-11,14H,5-8H2,1-4H3;2*8-10,13H,5-7H2,1-4H3/t13-,14+;13-,14-;10-,11-,12-;2*12-;9-,10-,11?;2*11-;2*10-/m1011011010/s1
InChIKeyUZCIXCIZWLCIEJ-BSVGKTNJSA-N
MW2561.76 g/mol
LogP14.55
Rot. Bonds52

About (3S,6R,8aR)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one;(3S)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3S,6R)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazol-5-one

(3S,6R,8aR)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one;(3S)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3S,6R)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazol-5-one (PubChem CID 161233815) has the molecular formula C137H250N20O20S2 and a molecular weight of 2561.76 g/mol. Its IUPAC name is (3S,6R,8aR)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one;(3S)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3S,6R)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazol-5-one.

Molecular Properties

Compound Name(3S,6R,8aR)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one;(3S)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3S,6R)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazol-5-one
PubChem CID161233815
Molecular FormulaC137H250N20O20S2
Molecular Weight2561.76 g/mol
Exact Mass2559.86
IUPAC Name(3S,6R,8aR)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one;(3S)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3S,6R)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazol-5-one
SMILESCC(C)C[C@@H](C(=O)C(C)C)N1CC[C@@H](NC(C)C)C1=O.CC(C)C[C@@H](C(=O)C(C)C)N1CC[C@H](NC(C)C)C1=O.CC(C)N[C@@H]1CC2SC[C@H](C(=O)C(C)C)N2C1=O.CC(C)N[C@@H]1CCCCN(CC(=O)C(C)C)C1=O.CC(C)N[C@@H]1CCCN(CC(=O)C(C)C)C1=O.CC(C)N[C@@H]1CCN(CC(=O)C(C)C)C1=O.CC(C)N[C@@H]1CC[C@H]2SC[C@H](C(=O)C(C)C)N2C1=O.CC(C)N[C@H]1CCCCN(CC(=O)C(C)C)C1=O.CC(C)N[C@H]1CCCN(CC(=O)C(C)C)C1=O.CC(C)N[C@H]1CCN(CC(=O)C(C)C)C1=O
InChIInChI=1S/2C16H30N2O2.C14H24N2O2S.2C14H26N2O2.C13H22N2O2S.2C13H24N2O2.2C12H22N2O2/c2*1-10(2)9-14(15(19)11(3)4)18-8-7-13(16(18)20)17-12(5)6;1-8(2)13(17)11-7-19-12-6-5-10(15-9(3)4)14(18)16(11)12;2*1-10(2)13(17)9-16-8-6-5-7-12(14(16)18)15-11(3)4;1-7(2)12(16)10-6-18-11-5-9(14-8(3)4)13(17)15(10)11;2*1-9(2)12(16)8-15-7-5-6-11(13(15)17)14-10(3)4;2*1-8(2)11(15)7-14-6-5-10(12(14)16)13-9(3)4/h2*10-14,17H,7-9H2,1-6H3;8-12,15H,5-7H2,1-4H3;2*10-12,15H,5-9H2,1-4H3;7-11,14H,5-6H2,1-4H3;2*9-11,14H,5-8H2,1-4H3;2*8-10,13H,5-7H2,1-4H3/t13-,14+;13-,14-;10-,11-,12-;2*12-;9-,10-,11?;2*11-;2*10-/m1011011010/s1
InChIKeyUZCIXCIZWLCIEJ-BSVGKTNJSA-N
XLogP14.55
TPSA494.10 Ų
H-Bond Donors10
H-Bond Acceptors32
Rotatable Bonds52
Heavy Atoms179
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002561.76
LogP ≤ 514.55
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1032

Analyze (3S,6R,8aR)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one;(3S)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3S,6R)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one
CID 22983832
1-(2-hydroxy-3-methylbutyl)-3-(propan-2-ylamino)piperidin-2-one
CID 113493057
2-[2-oxo-3-(propan-2-ylamino)piperidin-1-yl]ethylurea
CID 83114839
methyl (2S)-2-[(3S)-3-[[(2S)-1-ethoxy-1-oxo-4-phenylbutan-2-yl]amino]-2-oxoazepan-1-yl]-4-methylpentanoate
CID 10647053
(3S)-3-(methylamino)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-one
CID 142158964
1-(1-hydroxy-4-methylpentan-3-yl)-3-(propan-2-ylamino)piperidin-2-one
CID 114178303
3-(4-methylpentan-2-ylamino)-1-propan-2-ylpyrrolidin-2-one
CID 115760869
1-octan-4-yl-3-(propan-2-ylamino)pyrrolidin-2-one
CID 106021182
3-methyl-2-[2-oxo-3-(propan-2-ylamino)pyrrolidin-1-yl]butanamide
CID 114176608
1-[2-(3-hydroxypropylsulfanyl)ethyl]-3-(propan-2-ylamino)piperidin-2-one
CID 114171183
1-but-3-yn-2-yl-3-(propan-2-ylamino)piperidin-2-one
CID 114420364
2-[(3S)-3-(methylamino)-2-oxoazepan-1-yl]acetic acid
CID 66806132

Frequently Asked Questions

What is the IUPAC name of (3S,6R,8aR)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one;(3S)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3S,6R)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazol-5-one?
The IUPAC name of (3S,6R,8aR)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one;(3S)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3S,6R)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazol-5-one (CID 161233815) is (3S,6R,8aR)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one;(3S)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3S,6R)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazol-5-one.
What is the SMILES notation for (3S,6R,8aR)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one;(3S)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3S,6R)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazol-5-one?
The canonical SMILES for (3S,6R,8aR)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one;(3S)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3S,6R)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazol-5-one is CC(C)C[C@@H](C(=O)C(C)C)N1CC[C@@H](NC(C)C)C1=O.CC(C)C[C@@H](C(=O)C(C)C)N1CC[C@H](NC(C)C)C1=O.CC(C)N[C@@H]1CC2SC[C@H](C(=O)C(C)C)N2C1=O.CC(C)N[C@@H]1CCCCN(CC(=O)C(C)C)C1=O.CC(C)N[C@@H]1CCCN(CC(=O)C(C)C)C1=O.CC(C)N[C@@H]1CCN(CC(=O)C(C)C)C1=O.CC(C)N[C@@H]1CC[C@H]2SC[C@H](C(=O)C(C)C)N2C1=O.CC(C)N[C@H]1CCCCN(CC(=O)C(C)C)C1=O.CC(C)N[C@H]1CCCN(CC(=O)C(C)C)C1=O.CC(C)N[C@H]1CCN(CC(=O)C(C)C)C1=O.
What is the InChIKey of (3S,6R,8aR)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one;(3S)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3S,6R)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazol-5-one?
The InChIKey is UZCIXCIZWLCIEJ-BSVGKTNJSA-N. The full InChI is InChI=1S/2C16H30N2O2.C14H24N2O2S.2C14H26N2O2.C13H22N2O2S.2C13H24N2O2.2C12H22N2O2/c2*1-10(2)9-14(15(19)11(3)4)18-8-7-13(16(18)20)17-12(5)6;1-8(2)13(17)11-7-19-12-6-5-10(15-9(3)4)14(18)16(11)12;2*1-10(2)13(17)9-16-8-6-5-7-12(14(16)18)15-11(3)4;1-7(2)12(16)10-6-18-11-5-9(14-8(3)4)13(17)15(10)11;2*1-9(2)12(16)8-15-7-5-6-11(13(15)17)14-10(3)4;2*1-8(2)11(15)7-14-6-5-10(12(14)16)13-9(3)4/h2*10-14,17H,7-9H2,1-6H3;8-12,15H,5-7H2,1-4H3;2*10-12,15H,5-9H2,1-4H3;7-11,14H,5-6H2,1-4H3;2*9-11,14H,5-8H2,1-4H3;2*8-10,13H,5-7H2,1-4H3/t13-,14+;13-,14-;10-,11-,12-;2*12-;9-,10-,11?;2*11-;2*10-/m1011011010/s1.
What are the key properties of (3S,6R,8aR)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one;(3S)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3S,6R)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazol-5-one?
(3S,6R,8aR)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one;(3S)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3S,6R)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazol-5-one has a molecular weight of 2561.76 g/mol, XLogP of 14.55, 52 rotatable bonds, 10 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R,8aR)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-2,3,6,7,8,8a-hexahydro-[1,3]thiazolo[3,2-a]pyridin-5-one;(3S)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-[(4S)-2,6-dimethyl-3-oxoheptan-4-yl]-3-(propan-2-ylamino)pyrrolidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)azepan-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)piperidin-2-one;(3S)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3R)-1-(3-methyl-2-oxobutyl)-3-(propan-2-ylamino)pyrrolidin-2-one;(3S,6R)-3-(2-methylpropanoyl)-6-(propan-2-ylamino)-3,6,7,7a-tetrahydro-2H-pyrrolo[2,1-b][1,3]thiazol-5-one is sourced from PubChem (CID 161233815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).