benzyl N-[(18E)-7,12-dioxo-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicos-18-en-10-ylidene]carbamate;benzyl N-[methylsulfanyl-(oct-7-enoylamino)methylidene]carbamate;4-bromobut-1-ene;1-but-3-enylcyclopentan-1-ol;(1-but-3-enylcyclopentyl) 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-[(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-(trideuteriomethylamino)acetate;cyclopentanone;formic acid;10-imino-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione;methane;2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetic acid;oxolane;tungsten

C161H247BrN16O36S3W10 — CID 165023701

IUPACbenzyl N-[(18E)-7,12-dioxo-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicos-18-en-10-ylidene]carbamate;benzyl N-[methylsulfanyl-(oct-7-enoylamino)methylidene]carbamate;4-bromobut-1-ene;1-but-3-enylcyclopentan-1-ol;(1-but-3-enylcyclopentyl) 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-[(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-(trideuteriomethylamino)acetate;cyclopentanone;formic acid;10-imino-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione;methane;2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetic acid;oxolane;tungsten
SMILESC.C.C1CCOC1.C1CCOC1.C=CCCBr.C=CCCC1(O)CCCC1.C=CCCCCCC(=O)NC(=NC(=O)OCc1ccccc1)SC.O=C1CCCC1.O=CO.[2H]C([2H])([2H])N(CC(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.[2H]C([2H])([2H])N(CC(=O)OC1(CCC=C)CCCC1)C(=NC(=O)OCc1ccccc1)NC(=O)CCCCCC=C.[2H]C([2H])([2H])N(CC(=O)OC1(CCC=C)CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.[2H]C([2H])([2H])N1CC(=O)OC2(CC/C=C/CCCCCC(=O)NC1=NC(=O)OCc1ccccc1)CCCC2.[2H]C([2H])([2H])NCC(=O)OC1(CCC=C)CCCC1.[H]/N=C1/NC(=O)CCCCCCCCCC2(CCCC2)OC(=O)CN1C([2H])([2H])[2H].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C29H41N3O5.C27H37N3O5.C19H33N3O3.C18H24N2O6S.C18H24N2O3S.C12H21NO2.C9H10N2O6S.C9H16O.C5H8O.C4H7Br.2C4H8O.CH2O2.2CH4.10W/c1-4-6-8-9-13-18-25(33)30-27(31-28(35)36-23-24-16-11-10-12-17-24)32(3)22-26(34)37-29(19-7-5-2)20-14-15-21-29;1-30-20-24(32)35-27(18-12-13-19-27)17-11-6-4-2-3-5-10-16-23(31)28-25(30)29-26(33)34-21-22-14-8-7-9-15-22;1-22-15-17(24)25-19(13-9-10-14-19)12-8-6-4-2-3-5-7-11-16(23)21-18(22)20;1-3-4-11-18(12-5-6-13-18)26-17(21)14-19(2)27(24,25)16-9-7-15(8-10-16)20(22)23;1-3-4-5-6-10-13-16(21)19-17(24-2)20-18(22)23-14-15-11-8-7-9-12-15;1-3-4-7-12(8-5-6-9-12)15-11(14)10-13-2;1-10(6-9(12)13)18(16,17)8-4-2-7(3-5-8)11(14)15;1-2-3-6-9(10)7-4-5-8-9;6-5-3-1-2-4-5;1-2-3-4-5;2*1-2-4-5-3-1;2-1-3;;;;;;;;;;;;/h4-5,10-12,16-17H,1-2,6-9,13-15,18-23H2,3H3,(H,30,31,33,35);4,6-9,14-15H,2-3,5,10-13,16-21H2,1H3,(H,28,29,31,33);2-15H2,1H3,(H2,20,21,23);3,7-10H,1,4-6,11-14H2,2H3;3,7-9,11-12H,1,4-6,10,13-14H2,2H3,(H,19,20,21,22);3,13H,1,4-10H2,2H3;2-5H,6H2,1H3,(H,12,13);2,10H,1,3-8H2;1-4H2;2H,1,3-4H2;2*1-4H2;1H,(H,2,3);2*1H4;;;;;;;;;;/b;6-4+;;;;;;;;;;;;;;;;;;;;;;;/i3D3;2*1D3;2D3;;2D3;1D3;;;;;;;;;;;;;;;;;;
InChIKeyJISDTESRBLZCEB-AEQJCRCYSA-N
MW5015.44 g/mol
LogP31.47
Rot. Bonds55

About benzyl N-[(18E)-7,12-dioxo-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicos-18-en-10-ylidene]carbamate;benzyl N-[methylsulfanyl-(oct-7-enoylamino)methylidene]carbamate;4-bromobut-1-ene;1-but-3-enylcyclopentan-1-ol;(1-but-3-enylcyclopentyl) 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-[(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-(trideuteriomethylamino)acetate;cyclopentanone;formic acid;10-imino-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione;methane;2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetic acid;oxolane;tungsten

benzyl N-[(18E)-7,12-dioxo-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicos-18-en-10-ylidene]carbamate;benzyl N-[methylsulfanyl-(oct-7-enoylamino)methylidene]carbamate;4-bromobut-1-ene;1-but-3-enylcyclopentan-1-ol;(1-but-3-enylcyclopentyl) 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-[(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-(trideuteriomethylamino)acetate;cyclopentanone;formic acid;10-imino-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione;methane;2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetic acid;oxolane;tungsten (PubChem CID 165023701) has the molecular formula C161H247BrN16O36S3W10 and a molecular weight of 5015.44 g/mol. Its IUPAC name is benzyl N-[(18E)-7,12-dioxo-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicos-18-en-10-ylidene]carbamate;benzyl N-[methylsulfanyl-(oct-7-enoylamino)methylidene]carbamate;4-bromobut-1-ene;1-but-3-enylcyclopentan-1-ol;(1-but-3-enylcyclopentyl) 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-[(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-(trideuteriomethylamino)acetate;cyclopentanone;formic acid;10-imino-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione;methane;2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetic acid;oxolane;tungsten.

Molecular Properties

Compound Namebenzyl N-[(18E)-7,12-dioxo-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicos-18-en-10-ylidene]carbamate;benzyl N-[methylsulfanyl-(oct-7-enoylamino)methylidene]carbamate;4-bromobut-1-ene;1-but-3-enylcyclopentan-1-ol;(1-but-3-enylcyclopentyl) 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-[(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-(trideuteriomethylamino)acetate;cyclopentanone;formic acid;10-imino-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione;methane;2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetic acid;oxolane;tungsten
PubChem CID165023701
Molecular FormulaC161H247BrN16O36S3W10
Molecular Weight5015.44 g/mol
Exact Mass5013.26
IUPAC Namebenzyl N-[(18E)-7,12-dioxo-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicos-18-en-10-ylidene]carbamate;benzyl N-[methylsulfanyl-(oct-7-enoylamino)methylidene]carbamate;4-bromobut-1-ene;1-but-3-enylcyclopentan-1-ol;(1-but-3-enylcyclopentyl) 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-[(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-(trideuteriomethylamino)acetate;cyclopentanone;formic acid;10-imino-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione;methane;2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetic acid;oxolane;tungsten
SMILESC.C.C1CCOC1.C1CCOC1.C=CCCBr.C=CCCC1(O)CCCC1.C=CCCCCCC(=O)NC(=NC(=O)OCc1ccccc1)SC.O=C1CCCC1.O=CO.[2H]C([2H])([2H])N(CC(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.[2H]C([2H])([2H])N(CC(=O)OC1(CCC=C)CCCC1)C(=NC(=O)OCc1ccccc1)NC(=O)CCCCCC=C.[2H]C([2H])([2H])N(CC(=O)OC1(CCC=C)CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.[2H]C([2H])([2H])N1CC(=O)OC2(CC/C=C/CCCCCC(=O)NC1=NC(=O)OCc1ccccc1)CCCC2.[2H]C([2H])([2H])NCC(=O)OC1(CCC=C)CCCC1.[H]/N=C1/NC(=O)CCCCCCCCCC2(CCCC2)OC(=O)CN1C([2H])([2H])[2H].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W]
InChIInChI=1S/C29H41N3O5.C27H37N3O5.C19H33N3O3.C18H24N2O6S.C18H24N2O3S.C12H21NO2.C9H10N2O6S.C9H16O.C5H8O.C4H7Br.2C4H8O.CH2O2.2CH4.10W/c1-4-6-8-9-13-18-25(33)30-27(31-28(35)36-23-24-16-11-10-12-17-24)32(3)22-26(34)37-29(19-7-5-2)20-14-15-21-29;1-30-20-24(32)35-27(18-12-13-19-27)17-11-6-4-2-3-5-10-16-23(31)28-25(30)29-26(33)34-21-22-14-8-7-9-15-22;1-22-15-17(24)25-19(13-9-10-14-19)12-8-6-4-2-3-5-7-11-16(23)21-18(22)20;1-3-4-11-18(12-5-6-13-18)26-17(21)14-19(2)27(24,25)16-9-7-15(8-10-16)20(22)23;1-3-4-5-6-10-13-16(21)19-17(24-2)20-18(22)23-14-15-11-8-7-9-12-15;1-3-4-7-12(8-5-6-9-12)15-11(14)10-13-2;1-10(6-9(12)13)18(16,17)8-4-2-7(3-5-8)11(14)15;1-2-3-6-9(10)7-4-5-8-9;6-5-3-1-2-4-5;1-2-3-4-5;2*1-2-4-5-3-1;2-1-3;;;;;;;;;;;;/h4-5,10-12,16-17H,1-2,6-9,13-15,18-23H2,3H3,(H,30,31,33,35);4,6-9,14-15H,2-3,5,10-13,16-21H2,1H3,(H,28,29,31,33);2-15H2,1H3,(H2,20,21,23);3,7-10H,1,4-6,11-14H2,2H3;3,7-9,11-12H,1,4-6,10,13-14H2,2H3,(H,19,20,21,22);3,13H,1,4-10H2,2H3;2-5H,6H2,1H3,(H,12,13);2,10H,1,3-8H2;1-4H2;2H,1,3-4H2;2*1-4H2;1H,(H,2,3);2*1H4;;;;;;;;;;/b;6-4+;;;;;;;;;;;;;;;;;;;;;;;/i3D3;2*1D3;2D3;;2D3;1D3;;;;;;;;;;;;;;;;;;
InChIKeyJISDTESRBLZCEB-AEQJCRCYSA-N
XLogP31.47
TPSA700.88 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds55
Heavy Atoms227
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005015.44
LogP ≤ 531.47
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

Analyze benzyl N-[(18E)-7,12-dioxo-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicos-18-en-10-ylidene]carbamate;benzyl N-[methylsulfanyl-(oct-7-enoylamino)methylidene]carbamate;4-bromobut-1-ene;1-but-3-enylcyclopentan-1-ol;(1-but-3-enylcyclopentyl) 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-[(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-(trideuteriomethylamino)acetate;cyclopentanone;formic acid;10-imino-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione;methane;2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetic acid;oxolane;tungsten with MolForge

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Related Compounds

(1-but-3-enylcyclopentyl) 2-[methyl-(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)amino]acetate
CID 174113043
benzyl N-[(10E)-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclotridec-10-en-5-ylidene]carbamate;5-imino-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclotridecane-2,7-dione
CID 165004061
benzyl N-[(11E)-14-butyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclotetradec-11-en-5-ylidene]carbamate;14-butyl-5-imino-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclotetradecane-2,7-dione;ethyne;methane
CID 165023931
benzyl N-[(hept-6-enoylamino)-methylsulfanylmethylidene]carbamate
CID 155163339
benzyl (NZ)-N-[(11Z)-16-cyclopropyl-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadec-11-en-5-ylidene]carbamate
CID 155759987
dec-9-enyl 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate
CID 142602137
benzyl (NZ)-N-[(12E)-2,7-dioxo-15-propyl-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclopentadec-12-en-5-ylidene]carbamate
CID 155760079
5-imino-16,16-dimethyl-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclohexadecane-2,7-dione
CID 155163387
(4-nitrophenyl)methyl N-[[(4-nitrophenyl)methoxycarbonylamino]-(4-oxopiperidin-1-yl)methylidene]carbamate
CID 172837282
(4-nitrophenyl)methyl N-[[[2-(azetidin-3-ylamino)-2-oxoethyl]-methylamino]-[(4-nitrophenyl)methoxycarbonylamino]methylidene]carbamate
CID 73457552
tert-butyl (NZ)-N-[(11E)-2,7-dioxo-4-(trideuteriomethyl)-1-oxa-4,6-diazacyclotetradec-11-en-5-ylidene]carbamate
CID 155759956
10-imino-9-methyl-2,6-dioxa-9,11-diazaspiro[4.16]henicosane-7,12-dione
CID 147085463

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(18E)-7,12-dioxo-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicos-18-en-10-ylidene]carbamate;benzyl N-[methylsulfanyl-(oct-7-enoylamino)methylidene]carbamate;4-bromobut-1-ene;1-but-3-enylcyclopentan-1-ol;(1-but-3-enylcyclopentyl) 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-[(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-(trideuteriomethylamino)acetate;cyclopentanone;formic acid;10-imino-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione;methane;2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetic acid;oxolane;tungsten?
The IUPAC name of benzyl N-[(18E)-7,12-dioxo-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicos-18-en-10-ylidene]carbamate;benzyl N-[methylsulfanyl-(oct-7-enoylamino)methylidene]carbamate;4-bromobut-1-ene;1-but-3-enylcyclopentan-1-ol;(1-but-3-enylcyclopentyl) 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-[(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-(trideuteriomethylamino)acetate;cyclopentanone;formic acid;10-imino-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione;methane;2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetic acid;oxolane;tungsten (CID 165023701) is benzyl N-[(18E)-7,12-dioxo-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicos-18-en-10-ylidene]carbamate;benzyl N-[methylsulfanyl-(oct-7-enoylamino)methylidene]carbamate;4-bromobut-1-ene;1-but-3-enylcyclopentan-1-ol;(1-but-3-enylcyclopentyl) 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-[(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-(trideuteriomethylamino)acetate;cyclopentanone;formic acid;10-imino-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione;methane;2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetic acid;oxolane;tungsten.
What is the SMILES notation for benzyl N-[(18E)-7,12-dioxo-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicos-18-en-10-ylidene]carbamate;benzyl N-[methylsulfanyl-(oct-7-enoylamino)methylidene]carbamate;4-bromobut-1-ene;1-but-3-enylcyclopentan-1-ol;(1-but-3-enylcyclopentyl) 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-[(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-(trideuteriomethylamino)acetate;cyclopentanone;formic acid;10-imino-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione;methane;2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetic acid;oxolane;tungsten?
The canonical SMILES for benzyl N-[(18E)-7,12-dioxo-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicos-18-en-10-ylidene]carbamate;benzyl N-[methylsulfanyl-(oct-7-enoylamino)methylidene]carbamate;4-bromobut-1-ene;1-but-3-enylcyclopentan-1-ol;(1-but-3-enylcyclopentyl) 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-[(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-(trideuteriomethylamino)acetate;cyclopentanone;formic acid;10-imino-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione;methane;2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetic acid;oxolane;tungsten is C.C.C1CCOC1.C1CCOC1.C=CCCBr.C=CCCC1(O)CCCC1.C=CCCCCCC(=O)NC(=NC(=O)OCc1ccccc1)SC.O=C1CCCC1.O=CO.[2H]C([2H])([2H])N(CC(=O)O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.[2H]C([2H])([2H])N(CC(=O)OC1(CCC=C)CCCC1)C(=NC(=O)OCc1ccccc1)NC(=O)CCCCCC=C.[2H]C([2H])([2H])N(CC(=O)OC1(CCC=C)CCCC1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1.[2H]C([2H])([2H])N1CC(=O)OC2(CC/C=C/CCCCCC(=O)NC1=NC(=O)OCc1ccccc1)CCCC2.[2H]C([2H])([2H])NCC(=O)OC1(CCC=C)CCCC1.[H]/N=C1/NC(=O)CCCCCCCCCC2(CCCC2)OC(=O)CN1C([2H])([2H])[2H].[W].[W].[W].[W].[W].[W].[W].[W].[W].[W].
What is the InChIKey of benzyl N-[(18E)-7,12-dioxo-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicos-18-en-10-ylidene]carbamate;benzyl N-[methylsulfanyl-(oct-7-enoylamino)methylidene]carbamate;4-bromobut-1-ene;1-but-3-enylcyclopentan-1-ol;(1-but-3-enylcyclopentyl) 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-[(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-(trideuteriomethylamino)acetate;cyclopentanone;formic acid;10-imino-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione;methane;2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetic acid;oxolane;tungsten?
The InChIKey is JISDTESRBLZCEB-AEQJCRCYSA-N. The full InChI is InChI=1S/C29H41N3O5.C27H37N3O5.C19H33N3O3.C18H24N2O6S.C18H24N2O3S.C12H21NO2.C9H10N2O6S.C9H16O.C5H8O.C4H7Br.2C4H8O.CH2O2.2CH4.10W/c1-4-6-8-9-13-18-25(33)30-27(31-28(35)36-23-24-16-11-10-12-17-24)32(3)22-26(34)37-29(19-7-5-2)20-14-15-21-29;1-30-20-24(32)35-27(18-12-13-19-27)17-11-6-4-2-3-5-10-16-23(31)28-25(30)29-26(33)34-21-22-14-8-7-9-15-22;1-22-15-17(24)25-19(13-9-10-14-19)12-8-6-4-2-3-5-7-11-16(23)21-18(22)20;1-3-4-11-18(12-5-6-13-18)26-17(21)14-19(2)27(24,25)16-9-7-15(8-10-16)20(22)23;1-3-4-5-6-10-13-16(21)19-17(24-2)20-18(22)23-14-15-11-8-7-9-12-15;1-3-4-7-12(8-5-6-9-12)15-11(14)10-13-2;1-10(6-9(12)13)18(16,17)8-4-2-7(3-5-8)11(14)15;1-2-3-6-9(10)7-4-5-8-9;6-5-3-1-2-4-5;1-2-3-4-5;2*1-2-4-5-3-1;2-1-3;;;;;;;;;;;;/h4-5,10-12,16-17H,1-2,6-9,13-15,18-23H2,3H3,(H,30,31,33,35);4,6-9,14-15H,2-3,5,10-13,16-21H2,1H3,(H,28,29,31,33);2-15H2,1H3,(H2,20,21,23);3,7-10H,1,4-6,11-14H2,2H3;3,7-9,11-12H,1,4-6,10,13-14H2,2H3,(H,19,20,21,22);3,13H,1,4-10H2,2H3;2-5H,6H2,1H3,(H,12,13);2,10H,1,3-8H2;1-4H2;2H,1,3-4H2;2*1-4H2;1H,(H,2,3);2*1H4;;;;;;;;;;/b;6-4+;;;;;;;;;;;;;;;;;;;;;;;/i3D3;2*1D3;2D3;;2D3;1D3;;;;;;;;;;;;;;;;;;.
What are the key properties of benzyl N-[(18E)-7,12-dioxo-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicos-18-en-10-ylidene]carbamate;benzyl N-[methylsulfanyl-(oct-7-enoylamino)methylidene]carbamate;4-bromobut-1-ene;1-but-3-enylcyclopentan-1-ol;(1-but-3-enylcyclopentyl) 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-[(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-(trideuteriomethylamino)acetate;cyclopentanone;formic acid;10-imino-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione;methane;2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetic acid;oxolane;tungsten?
benzyl N-[(18E)-7,12-dioxo-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicos-18-en-10-ylidene]carbamate;benzyl N-[methylsulfanyl-(oct-7-enoylamino)methylidene]carbamate;4-bromobut-1-ene;1-but-3-enylcyclopentan-1-ol;(1-but-3-enylcyclopentyl) 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-[(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-(trideuteriomethylamino)acetate;cyclopentanone;formic acid;10-imino-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione;methane;2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetic acid;oxolane;tungsten has a molecular weight of 5015.44 g/mol, XLogP of 31.47, 55 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(18E)-7,12-dioxo-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicos-18-en-10-ylidene]carbamate;benzyl N-[methylsulfanyl-(oct-7-enoylamino)methylidene]carbamate;4-bromobut-1-ene;1-but-3-enylcyclopentan-1-ol;(1-but-3-enylcyclopentyl) 2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-[(N-oct-7-enoyl-N'-phenylmethoxycarbonylcarbamimidoyl)-(trideuteriomethyl)amino]acetate;(1-but-3-enylcyclopentyl) 2-(trideuteriomethylamino)acetate;cyclopentanone;formic acid;10-imino-9-(trideuteriomethyl)-6-oxa-9,11-diazaspiro[4.16]henicosane-7,12-dione;methane;2-[(4-nitrophenyl)sulfonyl-(trideuteriomethyl)amino]acetic acid;oxolane;tungsten is sourced from PubChem (CID 165023701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).