6-[3-[(2R)-2-amino-4-methyl-3-oxopentyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(6-methylheptyl)hexanamide;(2R)-4-methyl-3-methylidene-1-(4-methylpentyldisulfanyl)pentan-2-amine;N-(7-methyl-6-oxooctyl)-3-(4-methylpentyldisulfanyl)propanamide;1-(7-methyl-6-oxooctyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione;1-(12-methyl-11-oxotridecyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione

C98H181N7O12S7 — CID 162099726

IUPAC6-[3-[(2R)-2-amino-4-methyl-3-oxopentyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(6-methylheptyl)hexanamide;(2R)-4-methyl-3-methylidene-1-(4-methylpentyldisulfanyl)pentan-2-amine;N-(7-methyl-6-oxooctyl)-3-(4-methylpentyldisulfanyl)propanamide;1-(7-methyl-6-oxooctyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione;1-(12-methyl-11-oxotridecyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione
SMILESC=C(C(C)C)[C@@H](N)CSSCCCC(C)C.CC(C)CCCCCNC(=O)CCCCCN1C(=O)CC(SC[C@H](N)C(=O)C(C)C)C1=O.CC(C)CCCSC1CC(=O)N(CCCCCC(=O)C(C)C)C1=O.CC(C)CCCSC1CC(=O)N(CCCCCCCCCCC(=O)C(C)C)C1=O.CC(C)CCCSSCCC(=O)NCCCCCC(=O)C(C)C
InChIInChI=1S/C24H43N3O4S.C24H43NO3S.C19H33NO3S.C18H35NO2S2.C13H27NS2/c1-17(2)11-7-5-9-13-26-21(28)12-8-6-10-14-27-22(29)15-20(24(27)31)32-16-19(25)23(30)18(3)4;1-19(2)14-13-17-29-22-18-23(27)25(24(22)28)16-12-10-8-6-5-7-9-11-15-21(26)20(3)4;1-14(2)9-8-12-24-17-13-18(22)20(19(17)23)11-7-5-6-10-16(21)15(3)4;1-15(2)9-8-13-22-23-14-11-18(21)19-12-7-5-6-10-17(20)16(3)4;1-10(2)7-6-8-15-16-9-13(14)12(5)11(3)4/h17-20H,5-16,25H2,1-4H3,(H,26,28);19-20,22H,5-18H2,1-4H3;14-15,17H,5-13H2,1-4H3;15-16H,5-14H2,1-4H3,(H,19,21);10-11,13H,5-9,14H2,1-4H3/t19-,20?;;;;13-/m0...0/s1
InChIKeyZESIHAGAOOSWPP-LPHFGWOLSA-N
MW1874.03 g/mol
LogP22.82
Rot. Bonds70

About 6-[3-[(2R)-2-amino-4-methyl-3-oxopentyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(6-methylheptyl)hexanamide;(2R)-4-methyl-3-methylidene-1-(4-methylpentyldisulfanyl)pentan-2-amine;N-(7-methyl-6-oxooctyl)-3-(4-methylpentyldisulfanyl)propanamide;1-(7-methyl-6-oxooctyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione;1-(12-methyl-11-oxotridecyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione

6-[3-[(2R)-2-amino-4-methyl-3-oxopentyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(6-methylheptyl)hexanamide;(2R)-4-methyl-3-methylidene-1-(4-methylpentyldisulfanyl)pentan-2-amine;N-(7-methyl-6-oxooctyl)-3-(4-methylpentyldisulfanyl)propanamide;1-(7-methyl-6-oxooctyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione;1-(12-methyl-11-oxotridecyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione (PubChem CID 162099726) has the molecular formula C98H181N7O12S7 and a molecular weight of 1874.03 g/mol. Its IUPAC name is 6-[3-[(2R)-2-amino-4-methyl-3-oxopentyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(6-methylheptyl)hexanamide;(2R)-4-methyl-3-methylidene-1-(4-methylpentyldisulfanyl)pentan-2-amine;N-(7-methyl-6-oxooctyl)-3-(4-methylpentyldisulfanyl)propanamide;1-(7-methyl-6-oxooctyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione;1-(12-methyl-11-oxotridecyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name6-[3-[(2R)-2-amino-4-methyl-3-oxopentyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(6-methylheptyl)hexanamide;(2R)-4-methyl-3-methylidene-1-(4-methylpentyldisulfanyl)pentan-2-amine;N-(7-methyl-6-oxooctyl)-3-(4-methylpentyldisulfanyl)propanamide;1-(7-methyl-6-oxooctyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione;1-(12-methyl-11-oxotridecyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione
PubChem CID162099726
Molecular FormulaC98H181N7O12S7
Molecular Weight1874.03 g/mol
Exact Mass1872.18
IUPAC Name6-[3-[(2R)-2-amino-4-methyl-3-oxopentyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(6-methylheptyl)hexanamide;(2R)-4-methyl-3-methylidene-1-(4-methylpentyldisulfanyl)pentan-2-amine;N-(7-methyl-6-oxooctyl)-3-(4-methylpentyldisulfanyl)propanamide;1-(7-methyl-6-oxooctyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione;1-(12-methyl-11-oxotridecyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione
SMILESC=C(C(C)C)[C@@H](N)CSSCCCC(C)C.CC(C)CCCCCNC(=O)CCCCCN1C(=O)CC(SC[C@H](N)C(=O)C(C)C)C1=O.CC(C)CCCSC1CC(=O)N(CCCCCC(=O)C(C)C)C1=O.CC(C)CCCSC1CC(=O)N(CCCCCCCCCCC(=O)C(C)C)C1=O.CC(C)CCCSSCCC(=O)NCCCCCC(=O)C(C)C
InChIInChI=1S/C24H43N3O4S.C24H43NO3S.C19H33NO3S.C18H35NO2S2.C13H27NS2/c1-17(2)11-7-5-9-13-26-21(28)12-8-6-10-14-27-22(29)15-20(24(27)31)32-16-19(25)23(30)18(3)4;1-19(2)14-13-17-29-22-18-23(27)25(24(22)28)16-12-10-8-6-5-7-9-11-15-21(26)20(3)4;1-14(2)9-8-12-24-17-13-18(22)20(19(17)23)11-7-5-6-10-16(21)15(3)4;1-15(2)9-8-13-22-23-14-11-18(21)19-12-7-5-6-10-17(20)16(3)4;1-10(2)7-6-8-15-16-9-13(14)12(5)11(3)4/h17-20H,5-16,25H2,1-4H3,(H,26,28);19-20,22H,5-18H2,1-4H3;14-15,17H,5-13H2,1-4H3;15-16H,5-14H2,1-4H3,(H,19,21);10-11,13H,5-9,14H2,1-4H3/t19-,20?;;;;13-/m0...0/s1
InChIKeyZESIHAGAOOSWPP-LPHFGWOLSA-N
XLogP22.82
TPSA290.66 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds70
Heavy Atoms124
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001874.03
LogP ≤ 522.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-[3-[(2R)-2-amino-4-methyl-3-oxopentyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(6-methylheptyl)hexanamide;(2R)-4-methyl-3-methylidene-1-(4-methylpentyldisulfanyl)pentan-2-amine;N-(7-methyl-6-oxooctyl)-3-(4-methylpentyldisulfanyl)propanamide;1-(7-methyl-6-oxooctyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione;1-(12-methyl-11-oxotridecyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione with MolForge

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Related Compounds

N-(3-methylbutyl)-3-[3-(7-methyloctylsulfanyl)-2,5-dioxopyrrolidin-1-yl]propanamide
CID 139318601
6-(2,5-dioxo-3-propylsulfanylpyrrolidin-1-yl)-N-pentylhexanamide;molecular hydrogen
CID 144887232
3-(2-aminopent-3-ynylsulfanyl)-1-(7-methyl-6-oxooctyl)pyrrolidine-2,5-dione
CID 164557899
1-(5-methylhexyl)-3-(2-methylpropylsulfanyl)pyrrolidine-2,5-dione
CID 154948740
6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-N-(4-methylpentyl)hexanamide
CID 171520139
3-(2-amino-4-methyl-3-oxopentyl)sulfanyl-1-ethylpyrrolidine-2,5-dione
CID 167447952
2-amino-3-[2,5-dioxo-1-[3-oxo-3-(2-propoxyethylamino)propyl]pyrrolidin-3-yl]sulfanylpropanoic acid
CID 118017222
16-[[1-carboxy-4-[4-[3-[3-methyl-2-oxo-1-(propan-2-ylamino)butyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]butylamino]-4-oxobutyl]amino]-16-oxohexadecanoic acid
CID 130318616
ethane;6-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-N-[5-methyl-12-(1-methyl-2,5-dioxopyrrolidin-3-yl)sulfanyl-7-oxododecyl]hexanamide
CID 159284642
N-[2-(2,5-dioxo-3-propan-2-ylpyrrolidin-1-yl)ethyl]-7-methyloctanamide
CID 146319764
methane;1-(7-methyl-6-oxooctyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione
CID 167621427
N-[2-[3-(4-imino-5-methylhexyl)sulfanyl-2,5-dioxopyrrolidin-1-yl]ethyl]pentanamide
CID 154988251

Frequently Asked Questions

What is the IUPAC name of 6-[3-[(2R)-2-amino-4-methyl-3-oxopentyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(6-methylheptyl)hexanamide;(2R)-4-methyl-3-methylidene-1-(4-methylpentyldisulfanyl)pentan-2-amine;N-(7-methyl-6-oxooctyl)-3-(4-methylpentyldisulfanyl)propanamide;1-(7-methyl-6-oxooctyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione;1-(12-methyl-11-oxotridecyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione?
The IUPAC name of 6-[3-[(2R)-2-amino-4-methyl-3-oxopentyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(6-methylheptyl)hexanamide;(2R)-4-methyl-3-methylidene-1-(4-methylpentyldisulfanyl)pentan-2-amine;N-(7-methyl-6-oxooctyl)-3-(4-methylpentyldisulfanyl)propanamide;1-(7-methyl-6-oxooctyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione;1-(12-methyl-11-oxotridecyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione (CID 162099726) is 6-[3-[(2R)-2-amino-4-methyl-3-oxopentyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(6-methylheptyl)hexanamide;(2R)-4-methyl-3-methylidene-1-(4-methylpentyldisulfanyl)pentan-2-amine;N-(7-methyl-6-oxooctyl)-3-(4-methylpentyldisulfanyl)propanamide;1-(7-methyl-6-oxooctyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione;1-(12-methyl-11-oxotridecyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 6-[3-[(2R)-2-amino-4-methyl-3-oxopentyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(6-methylheptyl)hexanamide;(2R)-4-methyl-3-methylidene-1-(4-methylpentyldisulfanyl)pentan-2-amine;N-(7-methyl-6-oxooctyl)-3-(4-methylpentyldisulfanyl)propanamide;1-(7-methyl-6-oxooctyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione;1-(12-methyl-11-oxotridecyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione?
The canonical SMILES for 6-[3-[(2R)-2-amino-4-methyl-3-oxopentyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(6-methylheptyl)hexanamide;(2R)-4-methyl-3-methylidene-1-(4-methylpentyldisulfanyl)pentan-2-amine;N-(7-methyl-6-oxooctyl)-3-(4-methylpentyldisulfanyl)propanamide;1-(7-methyl-6-oxooctyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione;1-(12-methyl-11-oxotridecyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione is C=C(C(C)C)[C@@H](N)CSSCCCC(C)C.CC(C)CCCCCNC(=O)CCCCCN1C(=O)CC(SC[C@H](N)C(=O)C(C)C)C1=O.CC(C)CCCSC1CC(=O)N(CCCCCC(=O)C(C)C)C1=O.CC(C)CCCSC1CC(=O)N(CCCCCCCCCCC(=O)C(C)C)C1=O.CC(C)CCCSSCCC(=O)NCCCCCC(=O)C(C)C.
What is the InChIKey of 6-[3-[(2R)-2-amino-4-methyl-3-oxopentyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(6-methylheptyl)hexanamide;(2R)-4-methyl-3-methylidene-1-(4-methylpentyldisulfanyl)pentan-2-amine;N-(7-methyl-6-oxooctyl)-3-(4-methylpentyldisulfanyl)propanamide;1-(7-methyl-6-oxooctyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione;1-(12-methyl-11-oxotridecyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione?
The InChIKey is ZESIHAGAOOSWPP-LPHFGWOLSA-N. The full InChI is InChI=1S/C24H43N3O4S.C24H43NO3S.C19H33NO3S.C18H35NO2S2.C13H27NS2/c1-17(2)11-7-5-9-13-26-21(28)12-8-6-10-14-27-22(29)15-20(24(27)31)32-16-19(25)23(30)18(3)4;1-19(2)14-13-17-29-22-18-23(27)25(24(22)28)16-12-10-8-6-5-7-9-11-15-21(26)20(3)4;1-14(2)9-8-12-24-17-13-18(22)20(19(17)23)11-7-5-6-10-16(21)15(3)4;1-15(2)9-8-13-22-23-14-11-18(21)19-12-7-5-6-10-17(20)16(3)4;1-10(2)7-6-8-15-16-9-13(14)12(5)11(3)4/h17-20H,5-16,25H2,1-4H3,(H,26,28);19-20,22H,5-18H2,1-4H3;14-15,17H,5-13H2,1-4H3;15-16H,5-14H2,1-4H3,(H,19,21);10-11,13H,5-9,14H2,1-4H3/t19-,20?;;;;13-/m0...0/s1.
What are the key properties of 6-[3-[(2R)-2-amino-4-methyl-3-oxopentyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(6-methylheptyl)hexanamide;(2R)-4-methyl-3-methylidene-1-(4-methylpentyldisulfanyl)pentan-2-amine;N-(7-methyl-6-oxooctyl)-3-(4-methylpentyldisulfanyl)propanamide;1-(7-methyl-6-oxooctyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione;1-(12-methyl-11-oxotridecyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione?
6-[3-[(2R)-2-amino-4-methyl-3-oxopentyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(6-methylheptyl)hexanamide;(2R)-4-methyl-3-methylidene-1-(4-methylpentyldisulfanyl)pentan-2-amine;N-(7-methyl-6-oxooctyl)-3-(4-methylpentyldisulfanyl)propanamide;1-(7-methyl-6-oxooctyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione;1-(12-methyl-11-oxotridecyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione has a molecular weight of 1874.03 g/mol, XLogP of 22.82, 70 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(2R)-2-amino-4-methyl-3-oxopentyl]sulfanyl-2,5-dioxopyrrolidin-1-yl]-N-(6-methylheptyl)hexanamide;(2R)-4-methyl-3-methylidene-1-(4-methylpentyldisulfanyl)pentan-2-amine;N-(7-methyl-6-oxooctyl)-3-(4-methylpentyldisulfanyl)propanamide;1-(7-methyl-6-oxooctyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione;1-(12-methyl-11-oxotridecyl)-3-(4-methylpentylsulfanyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 162099726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).