(10-carboxy-8-oxo-12-sulfanyldodecyl)-dimethylazanium;(12-carboxy-10-oxo-14-sulfanyltetradecyl)-dimethylazanium;[17-[(1-carboxy-3-sulfanylpropyl)amino]-17-oxoheptadecyl]-dimethylazanium;[15-[(1-carboxy-3-sulfanylpropyl)amino]-15-oxopentadecyl]-dimethylazanium;[13-[(1-carboxy-3-sulfanylpropyl)amino]-13-oxotridecyl]-dimethylazanium;[11-[(1-carboxy-3-sulfanylpropyl)amino]-11-oxoundecyl]-dimethylazanium;2-[12-(dimethylazaniumyl)dodecanoylamino]-4-sulfanylbutanoate;2-[16-(dimethylazaniumyl)hexadecanoylamino]-4-sulfanylbutanoate;2-[9-(dimethylazaniumyl)nonanoylamino]-4-sulfanylbutanoate;2-[14-(dimethylazaniumyl)tetradecanoylamino]-4-sulfanylbutanoate

C187H378N18O30S10+6 — CID 159280442

IUPAC(10-carboxy-8-oxo-12-sulfanyldodecyl)-dimethylazanium;(12-carboxy-10-oxo-14-sulfanyltetradecyl)-dimethylazanium;[17-[(1-carboxy-3-sulfanylpropyl)amino]-17-oxoheptadecyl]-dimethylazanium;[15-[(1-carboxy-3-sulfanylpropyl)amino]-15-oxopentadecyl]-dimethylazanium;[13-[(1-carboxy-3-sulfanylpropyl)amino]-13-oxotridecyl]-dimethylazanium;[11-[(1-carboxy-3-sulfanylpropyl)amino]-11-oxoundecyl]-dimethylazanium;2-[12-(dimethylazaniumyl)dodecanoylamino]-4-sulfanylbutanoate;2-[16-(dimethylazaniumyl)hexadecanoylamino]-4-sulfanylbutanoate;2-[9-(dimethylazaniumyl)nonanoylamino]-4-sulfanylbutanoate;2-[14-(dimethylazaniumyl)tetradecanoylamino]-4-sulfanylbutanoate
SMILESC[NH+](C)CCCCCCCC(=O)CC(CCS)C(=O)O.C[NH+](C)CCCCCCCCC(=O)NC(CCS)C(=O)[O-].C[NH+](C)CCCCCCCCCC(=O)CC(CCS)C(=O)O.C[NH+](C)CCCCCCCCCCC(=O)NC(CCS)C(=O)O.C[NH+](C)CCCCCCCCCCCC(=O)NC(CCS)C(=O)[O-].C[NH+](C)CCCCCCCCCCCCC(=O)NC(CCS)C(=O)O.C[NH+](C)CCCCCCCCCCCCCC(=O)NC(CCS)C(=O)[O-].C[NH+](C)CCCCCCCCCCCCCCC(=O)NC(CCS)C(=O)O.C[NH+](C)CCCCCCCCCCCCCCCC(=O)NC(CCS)C(=O)[O-].C[NH+](C)CCCCCCCCCCCCCCCCC(=O)NC(CCS)C(=O)O
InChIInChI=1S/C23H46N2O3S.C22H44N2O3S.C21H42N2O3S.C20H40N2O3S.C19H38N2O3S.C18H36N2O3S.C17H34N2O3S.C17H33NO3S.C15H30N2O3S.C15H29NO3S/c1-25(2)19-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22(26)24-21(18-20-29)23(27)28;1-24(2)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(25)23-20(17-19-28)22(26)27;1-23(2)17-14-12-10-8-6-4-3-5-7-9-11-13-15-20(24)22-19(16-18-27)21(25)26;1-22(2)16-13-11-9-7-5-3-4-6-8-10-12-14-19(23)21-18(15-17-26)20(24)25;1-21(2)15-12-10-8-6-4-3-5-7-9-11-13-18(22)20-17(14-16-25)19(23)24;1-20(2)14-11-9-7-5-3-4-6-8-10-12-17(21)19-16(13-15-24)18(22)23;1-19(2)13-10-8-6-4-3-5-7-9-11-16(20)18-15(12-14-23)17(21)22;1-18(2)12-9-7-5-3-4-6-8-10-16(19)14-15(11-13-22)17(20)21;1-17(2)11-8-6-4-3-5-7-9-14(18)16-13(10-12-21)15(19)20;1-16(2)10-7-5-3-4-6-8-14(17)12-13(9-11-20)15(18)19/h21,29H,3-20H2,1-2H3,(H,24,26)(H,27,28);20,28H,3-19H2,1-2H3,(H,23,25)(H,26,27);19,27H,3-18H2,1-2H3,(H,22,24)(H,25,26);18,26H,3-17H2,1-2H3,(H,21,23)(H,24,25);17,25H,3-16H2,1-2H3,(H,20,22)(H,23,24);16,24H,3-15H2,1-2H3,(H,19,21)(H,22,23);15,23H,3-14H2,1-2H3,(H,18,20)(H,21,22);15,22H,3-14H2,1-2H3,(H,20,21);13,21H,3-12H2,1-2H3,(H,16,18)(H,19,20);13,20H,3-12H2,1-2H3,(H,18,19)/p+6
InChIKeyKYVQCHRUOQQQES-UHFFFAOYSA-T
MW3679.85 g/mol
LogP18.00
Rot. Bonds167

About (10-carboxy-8-oxo-12-sulfanyldodecyl)-dimethylazanium;(12-carboxy-10-oxo-14-sulfanyltetradecyl)-dimethylazanium;[17-[(1-carboxy-3-sulfanylpropyl)amino]-17-oxoheptadecyl]-dimethylazanium;[15-[(1-carboxy-3-sulfanylpropyl)amino]-15-oxopentadecyl]-dimethylazanium;[13-[(1-carboxy-3-sulfanylpropyl)amino]-13-oxotridecyl]-dimethylazanium;[11-[(1-carboxy-3-sulfanylpropyl)amino]-11-oxoundecyl]-dimethylazanium;2-[12-(dimethylazaniumyl)dodecanoylamino]-4-sulfanylbutanoate;2-[16-(dimethylazaniumyl)hexadecanoylamino]-4-sulfanylbutanoate;2-[9-(dimethylazaniumyl)nonanoylamino]-4-sulfanylbutanoate;2-[14-(dimethylazaniumyl)tetradecanoylamino]-4-sulfanylbutanoate

(10-carboxy-8-oxo-12-sulfanyldodecyl)-dimethylazanium;(12-carboxy-10-oxo-14-sulfanyltetradecyl)-dimethylazanium;[17-[(1-carboxy-3-sulfanylpropyl)amino]-17-oxoheptadecyl]-dimethylazanium;[15-[(1-carboxy-3-sulfanylpropyl)amino]-15-oxopentadecyl]-dimethylazanium;[13-[(1-carboxy-3-sulfanylpropyl)amino]-13-oxotridecyl]-dimethylazanium;[11-[(1-carboxy-3-sulfanylpropyl)amino]-11-oxoundecyl]-dimethylazanium;2-[12-(dimethylazaniumyl)dodecanoylamino]-4-sulfanylbutanoate;2-[16-(dimethylazaniumyl)hexadecanoylamino]-4-sulfanylbutanoate;2-[9-(dimethylazaniumyl)nonanoylamino]-4-sulfanylbutanoate;2-[14-(dimethylazaniumyl)tetradecanoylamino]-4-sulfanylbutanoate (PubChem CID 159280442) has the molecular formula C187H378N18O30S10+6 and a molecular weight of 3679.85 g/mol. Its IUPAC name is (10-carboxy-8-oxo-12-sulfanyldodecyl)-dimethylazanium;(12-carboxy-10-oxo-14-sulfanyltetradecyl)-dimethylazanium;[17-[(1-carboxy-3-sulfanylpropyl)amino]-17-oxoheptadecyl]-dimethylazanium;[15-[(1-carboxy-3-sulfanylpropyl)amino]-15-oxopentadecyl]-dimethylazanium;[13-[(1-carboxy-3-sulfanylpropyl)amino]-13-oxotridecyl]-dimethylazanium;[11-[(1-carboxy-3-sulfanylpropyl)amino]-11-oxoundecyl]-dimethylazanium;2-[12-(dimethylazaniumyl)dodecanoylamino]-4-sulfanylbutanoate;2-[16-(dimethylazaniumyl)hexadecanoylamino]-4-sulfanylbutanoate;2-[9-(dimethylazaniumyl)nonanoylamino]-4-sulfanylbutanoate;2-[14-(dimethylazaniumyl)tetradecanoylamino]-4-sulfanylbutanoate.

Molecular Properties

Compound Name(10-carboxy-8-oxo-12-sulfanyldodecyl)-dimethylazanium;(12-carboxy-10-oxo-14-sulfanyltetradecyl)-dimethylazanium;[17-[(1-carboxy-3-sulfanylpropyl)amino]-17-oxoheptadecyl]-dimethylazanium;[15-[(1-carboxy-3-sulfanylpropyl)amino]-15-oxopentadecyl]-dimethylazanium;[13-[(1-carboxy-3-sulfanylpropyl)amino]-13-oxotridecyl]-dimethylazanium;[11-[(1-carboxy-3-sulfanylpropyl)amino]-11-oxoundecyl]-dimethylazanium;2-[12-(dimethylazaniumyl)dodecanoylamino]-4-sulfanylbutanoate;2-[16-(dimethylazaniumyl)hexadecanoylamino]-4-sulfanylbutanoate;2-[9-(dimethylazaniumyl)nonanoylamino]-4-sulfanylbutanoate;2-[14-(dimethylazaniumyl)tetradecanoylamino]-4-sulfanylbutanoate
PubChem CID159280442
Molecular FormulaC187H378N18O30S10+6
Molecular Weight3679.85 g/mol
Exact Mass3676.58
IUPAC Name(10-carboxy-8-oxo-12-sulfanyldodecyl)-dimethylazanium;(12-carboxy-10-oxo-14-sulfanyltetradecyl)-dimethylazanium;[17-[(1-carboxy-3-sulfanylpropyl)amino]-17-oxoheptadecyl]-dimethylazanium;[15-[(1-carboxy-3-sulfanylpropyl)amino]-15-oxopentadecyl]-dimethylazanium;[13-[(1-carboxy-3-sulfanylpropyl)amino]-13-oxotridecyl]-dimethylazanium;[11-[(1-carboxy-3-sulfanylpropyl)amino]-11-oxoundecyl]-dimethylazanium;2-[12-(dimethylazaniumyl)dodecanoylamino]-4-sulfanylbutanoate;2-[16-(dimethylazaniumyl)hexadecanoylamino]-4-sulfanylbutanoate;2-[9-(dimethylazaniumyl)nonanoylamino]-4-sulfanylbutanoate;2-[14-(dimethylazaniumyl)tetradecanoylamino]-4-sulfanylbutanoate
SMILESC[NH+](C)CCCCCCCC(=O)CC(CCS)C(=O)O.C[NH+](C)CCCCCCCCC(=O)NC(CCS)C(=O)[O-].C[NH+](C)CCCCCCCCCC(=O)CC(CCS)C(=O)O.C[NH+](C)CCCCCCCCCCC(=O)NC(CCS)C(=O)O.C[NH+](C)CCCCCCCCCCCC(=O)NC(CCS)C(=O)[O-].C[NH+](C)CCCCCCCCCCCCC(=O)NC(CCS)C(=O)O.C[NH+](C)CCCCCCCCCCCCCC(=O)NC(CCS)C(=O)[O-].C[NH+](C)CCCCCCCCCCCCCCC(=O)NC(CCS)C(=O)O.C[NH+](C)CCCCCCCCCCCCCCCC(=O)NC(CCS)C(=O)[O-].C[NH+](C)CCCCCCCCCCCCCCCCC(=O)NC(CCS)C(=O)O
InChIInChI=1S/C23H46N2O3S.C22H44N2O3S.C21H42N2O3S.C20H40N2O3S.C19H38N2O3S.C18H36N2O3S.C17H34N2O3S.C17H33NO3S.C15H30N2O3S.C15H29NO3S/c1-25(2)19-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22(26)24-21(18-20-29)23(27)28;1-24(2)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(25)23-20(17-19-28)22(26)27;1-23(2)17-14-12-10-8-6-4-3-5-7-9-11-13-15-20(24)22-19(16-18-27)21(25)26;1-22(2)16-13-11-9-7-5-3-4-6-8-10-12-14-19(23)21-18(15-17-26)20(24)25;1-21(2)15-12-10-8-6-4-3-5-7-9-11-13-18(22)20-17(14-16-25)19(23)24;1-20(2)14-11-9-7-5-3-4-6-8-10-12-17(21)19-16(13-15-24)18(22)23;1-19(2)13-10-8-6-4-3-5-7-9-11-16(20)18-15(12-14-23)17(21)22;1-18(2)12-9-7-5-3-4-6-8-10-16(19)14-15(11-13-22)17(20)21;1-17(2)11-8-6-4-3-5-7-9-14(18)16-13(10-12-21)15(19)20;1-16(2)10-7-5-3-4-6-8-14(17)12-13(9-11-20)15(18)19/h21,29H,3-20H2,1-2H3,(H,24,26)(H,27,28);20,28H,3-19H2,1-2H3,(H,23,25)(H,26,27);19,27H,3-18H2,1-2H3,(H,22,24)(H,25,26);18,26H,3-17H2,1-2H3,(H,21,23)(H,24,25);17,25H,3-16H2,1-2H3,(H,20,22)(H,23,24);16,24H,3-15H2,1-2H3,(H,19,21)(H,22,23);15,23H,3-14H2,1-2H3,(H,18,20)(H,21,22);15,22H,3-14H2,1-2H3,(H,20,21);13,21H,3-12H2,1-2H3,(H,16,18)(H,19,20);13,20H,3-12H2,1-2H3,(H,18,19)/p+6
InChIKeyKYVQCHRUOQQQES-UHFFFAOYSA-T
XLogP18.00
TPSA695.66 Ų
H-Bond Donors34
H-Bond Acceptors34
Rotatable Bonds167
Heavy Atoms245
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003679.85
LogP ≤ 518.00
H-Bond Donors ≤ 534
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze (10-carboxy-8-oxo-12-sulfanyldodecyl)-dimethylazanium;(12-carboxy-10-oxo-14-sulfanyltetradecyl)-dimethylazanium;[17-[(1-carboxy-3-sulfanylpropyl)amino]-17-oxoheptadecyl]-dimethylazanium;[15-[(1-carboxy-3-sulfanylpropyl)amino]-15-oxopentadecyl]-dimethylazanium;[13-[(1-carboxy-3-sulfanylpropyl)amino]-13-oxotridecyl]-dimethylazanium;[11-[(1-carboxy-3-sulfanylpropyl)amino]-11-oxoundecyl]-dimethylazanium;2-[12-(dimethylazaniumyl)dodecanoylamino]-4-sulfanylbutanoate;2-[16-(dimethylazaniumyl)hexadecanoylamino]-4-sulfanylbutanoate;2-[9-(dimethylazaniumyl)nonanoylamino]-4-sulfanylbutanoate;2-[14-(dimethylazaniumyl)tetradecanoylamino]-4-sulfanylbutanoate with MolForge

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Launch Full Analysis

Related Compounds

2-(12-azaniumyldodecanoylamino)-4-sulfanylbutanoate;2-(9-azaniumylnonanoylamino)-4-sulfanylbutanoate;16-azaniumyl-4-oxo-2-(2-sulfanylethyl)hexadecanoate;13-azaniumyl-4-oxo-2-(2-sulfanylethyl)tridecanoate;2-(14-azaniumyltetradecanoylamino)-4-sulfanylbutanoate;2-(11-azaniumylundecanoylamino)-4-sulfanylbutanoate;(10-carboxy-8-oxo-12-sulfanyldodecyl)azanium;[17-[(1-carboxy-2-sulfanylethyl)amino]-17-oxoheptadecyl]-dimethylazanium;2-[19-(dimethylazaniumyl)nonadecanoylamino]-3-sulfanylpropanoate;2-[18-(dimethylazaniumyl)octadecanoylamino]-3-sulfanylpropanoate
CID 158744360
15-azaniumyl-2-[2-[[3-(12-azaniumyldodecanoylamino)-3-carboxylatopropyl]disulfanyl]ethyl]-4-oxopentadecanoate;4-[(14-azaniumyl-3-carboxy-5-oxotetradecyl)disulfanyl]-2-(10-azaniumyldecanoylamino)butanoate;bis(2-(11-azaniumylundecanoylamino)-4-[[3-(11-azaniumylundecanoylamino)-3-carboxypropyl]disulfanyl]butanoate)
CID 161261675
(2R)-11-[[(1S)-1-carboxy-5-methyl-4-oxohexyl]amino]-2-(4-methyl-3-oxopentyl)-4,11-dioxoundecanoic acid
CID 147169147
2-(13-azaniumyltridecanoylamino)-4-sulfanylbutanoate
CID 140657755
(2R)-2-(decanoylamino)-4-sulfanylbutanoic acid
CID 88510287
2-(18-azaniumyloctadecanoylamino)-4-sulfanylbutanoate
CID 140657757
(2S)-2-(decanoylamino)-4-sulfanylbutanoic acid
CID 54099715
2-[14-(dimethylamino)tetradecanoylamino]-4-sulfanylbutanoic acid
CID 89495807
2-(15-iodopentadecanoylamino)-4-sulfanylbutanoic acid
CID 130457024
2-[3-[(1-carboxy-4-oxopentyl)amino]-3-oxopropyl]-4-oxotricosanedioic acid
CID 164977488
(2R)-2-[3-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-[[(1S)-1-carboxy-4-oxopentyl]amino]-4-oxobutyl]amino]-4-oxobutyl]amino]-3-oxopropyl]-4-oxohenicosanedioic acid
CID 89470049
2-[[(Z)-octadec-9-enoyl]amino]-4-sulfanylbutanoic acid
CID 155102669

Frequently Asked Questions

What is the IUPAC name of (10-carboxy-8-oxo-12-sulfanyldodecyl)-dimethylazanium;(12-carboxy-10-oxo-14-sulfanyltetradecyl)-dimethylazanium;[17-[(1-carboxy-3-sulfanylpropyl)amino]-17-oxoheptadecyl]-dimethylazanium;[15-[(1-carboxy-3-sulfanylpropyl)amino]-15-oxopentadecyl]-dimethylazanium;[13-[(1-carboxy-3-sulfanylpropyl)amino]-13-oxotridecyl]-dimethylazanium;[11-[(1-carboxy-3-sulfanylpropyl)amino]-11-oxoundecyl]-dimethylazanium;2-[12-(dimethylazaniumyl)dodecanoylamino]-4-sulfanylbutanoate;2-[16-(dimethylazaniumyl)hexadecanoylamino]-4-sulfanylbutanoate;2-[9-(dimethylazaniumyl)nonanoylamino]-4-sulfanylbutanoate;2-[14-(dimethylazaniumyl)tetradecanoylamino]-4-sulfanylbutanoate?
The IUPAC name of (10-carboxy-8-oxo-12-sulfanyldodecyl)-dimethylazanium;(12-carboxy-10-oxo-14-sulfanyltetradecyl)-dimethylazanium;[17-[(1-carboxy-3-sulfanylpropyl)amino]-17-oxoheptadecyl]-dimethylazanium;[15-[(1-carboxy-3-sulfanylpropyl)amino]-15-oxopentadecyl]-dimethylazanium;[13-[(1-carboxy-3-sulfanylpropyl)amino]-13-oxotridecyl]-dimethylazanium;[11-[(1-carboxy-3-sulfanylpropyl)amino]-11-oxoundecyl]-dimethylazanium;2-[12-(dimethylazaniumyl)dodecanoylamino]-4-sulfanylbutanoate;2-[16-(dimethylazaniumyl)hexadecanoylamino]-4-sulfanylbutanoate;2-[9-(dimethylazaniumyl)nonanoylamino]-4-sulfanylbutanoate;2-[14-(dimethylazaniumyl)tetradecanoylamino]-4-sulfanylbutanoate (CID 159280442) is (10-carboxy-8-oxo-12-sulfanyldodecyl)-dimethylazanium;(12-carboxy-10-oxo-14-sulfanyltetradecyl)-dimethylazanium;[17-[(1-carboxy-3-sulfanylpropyl)amino]-17-oxoheptadecyl]-dimethylazanium;[15-[(1-carboxy-3-sulfanylpropyl)amino]-15-oxopentadecyl]-dimethylazanium;[13-[(1-carboxy-3-sulfanylpropyl)amino]-13-oxotridecyl]-dimethylazanium;[11-[(1-carboxy-3-sulfanylpropyl)amino]-11-oxoundecyl]-dimethylazanium;2-[12-(dimethylazaniumyl)dodecanoylamino]-4-sulfanylbutanoate;2-[16-(dimethylazaniumyl)hexadecanoylamino]-4-sulfanylbutanoate;2-[9-(dimethylazaniumyl)nonanoylamino]-4-sulfanylbutanoate;2-[14-(dimethylazaniumyl)tetradecanoylamino]-4-sulfanylbutanoate.
What is the SMILES notation for (10-carboxy-8-oxo-12-sulfanyldodecyl)-dimethylazanium;(12-carboxy-10-oxo-14-sulfanyltetradecyl)-dimethylazanium;[17-[(1-carboxy-3-sulfanylpropyl)amino]-17-oxoheptadecyl]-dimethylazanium;[15-[(1-carboxy-3-sulfanylpropyl)amino]-15-oxopentadecyl]-dimethylazanium;[13-[(1-carboxy-3-sulfanylpropyl)amino]-13-oxotridecyl]-dimethylazanium;[11-[(1-carboxy-3-sulfanylpropyl)amino]-11-oxoundecyl]-dimethylazanium;2-[12-(dimethylazaniumyl)dodecanoylamino]-4-sulfanylbutanoate;2-[16-(dimethylazaniumyl)hexadecanoylamino]-4-sulfanylbutanoate;2-[9-(dimethylazaniumyl)nonanoylamino]-4-sulfanylbutanoate;2-[14-(dimethylazaniumyl)tetradecanoylamino]-4-sulfanylbutanoate?
The canonical SMILES for (10-carboxy-8-oxo-12-sulfanyldodecyl)-dimethylazanium;(12-carboxy-10-oxo-14-sulfanyltetradecyl)-dimethylazanium;[17-[(1-carboxy-3-sulfanylpropyl)amino]-17-oxoheptadecyl]-dimethylazanium;[15-[(1-carboxy-3-sulfanylpropyl)amino]-15-oxopentadecyl]-dimethylazanium;[13-[(1-carboxy-3-sulfanylpropyl)amino]-13-oxotridecyl]-dimethylazanium;[11-[(1-carboxy-3-sulfanylpropyl)amino]-11-oxoundecyl]-dimethylazanium;2-[12-(dimethylazaniumyl)dodecanoylamino]-4-sulfanylbutanoate;2-[16-(dimethylazaniumyl)hexadecanoylamino]-4-sulfanylbutanoate;2-[9-(dimethylazaniumyl)nonanoylamino]-4-sulfanylbutanoate;2-[14-(dimethylazaniumyl)tetradecanoylamino]-4-sulfanylbutanoate is C[NH+](C)CCCCCCCC(=O)CC(CCS)C(=O)O.C[NH+](C)CCCCCCCCC(=O)NC(CCS)C(=O)[O-].C[NH+](C)CCCCCCCCCC(=O)CC(CCS)C(=O)O.C[NH+](C)CCCCCCCCCCC(=O)NC(CCS)C(=O)O.C[NH+](C)CCCCCCCCCCCC(=O)NC(CCS)C(=O)[O-].C[NH+](C)CCCCCCCCCCCCC(=O)NC(CCS)C(=O)O.C[NH+](C)CCCCCCCCCCCCCC(=O)NC(CCS)C(=O)[O-].C[NH+](C)CCCCCCCCCCCCCCC(=O)NC(CCS)C(=O)O.C[NH+](C)CCCCCCCCCCCCCCCC(=O)NC(CCS)C(=O)[O-].C[NH+](C)CCCCCCCCCCCCCCCCC(=O)NC(CCS)C(=O)O.
What is the InChIKey of (10-carboxy-8-oxo-12-sulfanyldodecyl)-dimethylazanium;(12-carboxy-10-oxo-14-sulfanyltetradecyl)-dimethylazanium;[17-[(1-carboxy-3-sulfanylpropyl)amino]-17-oxoheptadecyl]-dimethylazanium;[15-[(1-carboxy-3-sulfanylpropyl)amino]-15-oxopentadecyl]-dimethylazanium;[13-[(1-carboxy-3-sulfanylpropyl)amino]-13-oxotridecyl]-dimethylazanium;[11-[(1-carboxy-3-sulfanylpropyl)amino]-11-oxoundecyl]-dimethylazanium;2-[12-(dimethylazaniumyl)dodecanoylamino]-4-sulfanylbutanoate;2-[16-(dimethylazaniumyl)hexadecanoylamino]-4-sulfanylbutanoate;2-[9-(dimethylazaniumyl)nonanoylamino]-4-sulfanylbutanoate;2-[14-(dimethylazaniumyl)tetradecanoylamino]-4-sulfanylbutanoate?
The InChIKey is KYVQCHRUOQQQES-UHFFFAOYSA-T. The full InChI is InChI=1S/C23H46N2O3S.C22H44N2O3S.C21H42N2O3S.C20H40N2O3S.C19H38N2O3S.C18H36N2O3S.C17H34N2O3S.C17H33NO3S.C15H30N2O3S.C15H29NO3S/c1-25(2)19-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-22(26)24-21(18-20-29)23(27)28;1-24(2)18-15-13-11-9-7-5-3-4-6-8-10-12-14-16-21(25)23-20(17-19-28)22(26)27;1-23(2)17-14-12-10-8-6-4-3-5-7-9-11-13-15-20(24)22-19(16-18-27)21(25)26;1-22(2)16-13-11-9-7-5-3-4-6-8-10-12-14-19(23)21-18(15-17-26)20(24)25;1-21(2)15-12-10-8-6-4-3-5-7-9-11-13-18(22)20-17(14-16-25)19(23)24;1-20(2)14-11-9-7-5-3-4-6-8-10-12-17(21)19-16(13-15-24)18(22)23;1-19(2)13-10-8-6-4-3-5-7-9-11-16(20)18-15(12-14-23)17(21)22;1-18(2)12-9-7-5-3-4-6-8-10-16(19)14-15(11-13-22)17(20)21;1-17(2)11-8-6-4-3-5-7-9-14(18)16-13(10-12-21)15(19)20;1-16(2)10-7-5-3-4-6-8-14(17)12-13(9-11-20)15(18)19/h21,29H,3-20H2,1-2H3,(H,24,26)(H,27,28);20,28H,3-19H2,1-2H3,(H,23,25)(H,26,27);19,27H,3-18H2,1-2H3,(H,22,24)(H,25,26);18,26H,3-17H2,1-2H3,(H,21,23)(H,24,25);17,25H,3-16H2,1-2H3,(H,20,22)(H,23,24);16,24H,3-15H2,1-2H3,(H,19,21)(H,22,23);15,23H,3-14H2,1-2H3,(H,18,20)(H,21,22);15,22H,3-14H2,1-2H3,(H,20,21);13,21H,3-12H2,1-2H3,(H,16,18)(H,19,20);13,20H,3-12H2,1-2H3,(H,18,19)/p+6.
What are the key properties of (10-carboxy-8-oxo-12-sulfanyldodecyl)-dimethylazanium;(12-carboxy-10-oxo-14-sulfanyltetradecyl)-dimethylazanium;[17-[(1-carboxy-3-sulfanylpropyl)amino]-17-oxoheptadecyl]-dimethylazanium;[15-[(1-carboxy-3-sulfanylpropyl)amino]-15-oxopentadecyl]-dimethylazanium;[13-[(1-carboxy-3-sulfanylpropyl)amino]-13-oxotridecyl]-dimethylazanium;[11-[(1-carboxy-3-sulfanylpropyl)amino]-11-oxoundecyl]-dimethylazanium;2-[12-(dimethylazaniumyl)dodecanoylamino]-4-sulfanylbutanoate;2-[16-(dimethylazaniumyl)hexadecanoylamino]-4-sulfanylbutanoate;2-[9-(dimethylazaniumyl)nonanoylamino]-4-sulfanylbutanoate;2-[14-(dimethylazaniumyl)tetradecanoylamino]-4-sulfanylbutanoate?
(10-carboxy-8-oxo-12-sulfanyldodecyl)-dimethylazanium;(12-carboxy-10-oxo-14-sulfanyltetradecyl)-dimethylazanium;[17-[(1-carboxy-3-sulfanylpropyl)amino]-17-oxoheptadecyl]-dimethylazanium;[15-[(1-carboxy-3-sulfanylpropyl)amino]-15-oxopentadecyl]-dimethylazanium;[13-[(1-carboxy-3-sulfanylpropyl)amino]-13-oxotridecyl]-dimethylazanium;[11-[(1-carboxy-3-sulfanylpropyl)amino]-11-oxoundecyl]-dimethylazanium;2-[12-(dimethylazaniumyl)dodecanoylamino]-4-sulfanylbutanoate;2-[16-(dimethylazaniumyl)hexadecanoylamino]-4-sulfanylbutanoate;2-[9-(dimethylazaniumyl)nonanoylamino]-4-sulfanylbutanoate;2-[14-(dimethylazaniumyl)tetradecanoylamino]-4-sulfanylbutanoate has a molecular weight of 3679.85 g/mol, XLogP of 18.00, 167 rotatable bonds, 34 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (10-carboxy-8-oxo-12-sulfanyldodecyl)-dimethylazanium;(12-carboxy-10-oxo-14-sulfanyltetradecyl)-dimethylazanium;[17-[(1-carboxy-3-sulfanylpropyl)amino]-17-oxoheptadecyl]-dimethylazanium;[15-[(1-carboxy-3-sulfanylpropyl)amino]-15-oxopentadecyl]-dimethylazanium;[13-[(1-carboxy-3-sulfanylpropyl)amino]-13-oxotridecyl]-dimethylazanium;[11-[(1-carboxy-3-sulfanylpropyl)amino]-11-oxoundecyl]-dimethylazanium;2-[12-(dimethylazaniumyl)dodecanoylamino]-4-sulfanylbutanoate;2-[16-(dimethylazaniumyl)hexadecanoylamino]-4-sulfanylbutanoate;2-[9-(dimethylazaniumyl)nonanoylamino]-4-sulfanylbutanoate;2-[14-(dimethylazaniumyl)tetradecanoylamino]-4-sulfanylbutanoate is sourced from PubChem (CID 159280442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).