3-amino-2-hydroxy-N'-nitropiperidine-1-carboximidamide;3-amino-N'-nitro-2-tritiooxypiperidine-1-carboximidamide;3-amino-2-tritiooxypiperidine-1-carboximidamide;deuterio(sulfanylidene)borane;4-methylpent-1-en-3-yl N-(1-carbamimidoyl-2-tritiooxypiperidin-3-yl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(2-aminopropanoylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-(3-amino-2-tritiooxypiperidine-1-carboximidoyl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoyl]amino]propanoylamino]-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(4-methylpent-1-en-3-yloxycarbonylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;dihydrochloride

C150H220B7Cl2N37O30S7 — CID 172929036

IUPAC3-amino-2-hydroxy-N'-nitropiperidine-1-carboximidamide;3-amino-N'-nitro-2-tritiooxypiperidine-1-carboximidamide;3-amino-2-tritiooxypiperidine-1-carboximidamide;deuterio(sulfanylidene)borane;4-methylpent-1-en-3-yl N-(1-carbamimidoyl-2-tritiooxypiperidin-3-yl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(2-aminopropanoylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-(3-amino-2-tritiooxypiperidine-1-carboximidoyl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoyl]amino]propanoylamino]-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(4-methylpent-1-en-3-yloxycarbonylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;dihydrochloride
SMILESCl.Cl.N/C(=N\[N+](=O)[O-])N1CCCC(N)C1O.[2H]B=S.[2H]B=S.[2H]B=S.[2H]B=S.[2H]B=S.[2H]B=S.[2H]B=S.[3H]OC1C(N)CCCN1/C(N)=N/[N+](=O)[O-].[H]/N=C(\N)N1CCCC(N)C1O[3H].[H]/N=C(\N)N1CCCC(NC(=O)OC(C=C)C(C)C)C1O[3H].[H]/N=C(\NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)N1CCCC(N)C1O[3H].[H]/N=C(\NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)N1CCCC(NC(=O)C(C)N)C1O[3H].[H]/N=C(\NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)N1CCCC(NC(=O)C(C)NC(=O)C(CO)NC(=O)OCC2c3ccccc3-c3ccccc32)C1O[3H].[H]/N=C(\NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)N1CCCC(NC(=O)OC(C=C)C(C)C)C1O[3H]
InChIInChI=1S/C43H48N6O8.C29H38N4O5.C25H33N5O4.C22H28N4O3.C13H24N4O3.2C6H13N5O3.C6H14N4O.7BHS.2ClH/c1-26(45-38(52)36(24-50)47-41(54)56-25-34-32-16-9-7-14-30(32)31-15-8-10-17-33(31)34)37(51)46-35-18-11-23-49(39(35)53)40(44)48-42(55)57-43(2,3)29-21-19-28(20-22-29)27-12-5-4-6-13-27;1-6-24(19(2)3)37-27(35)31-23-13-10-18-33(25(23)34)26(30)32-28(36)38-29(4,5)22-16-14-21(15-17-22)20-11-8-7-9-12-20;1-16(26)21(31)28-20-10-7-15-30(22(20)32)23(27)29-24(33)34-25(2,3)19-13-11-18(12-14-19)17-8-5-4-6-9-17;1-22(2,17-12-10-16(11-13-17)15-7-4-3-5-8-15)29-21(28)25-20(24)26-14-6-9-18(23)19(26)27;1-4-10(8(2)3)20-13(19)16-9-6-5-7-17(11(9)18)12(14)15;2*7-4-2-1-3-10(5(4)12)6(8)9-11(13)14;7-4-2-1-3-10(5(4)11)6(8)9;7*1-2;;/h4-10,12-17,19-22,26,34-36,39,50,53H,11,18,23-25H2,1-3H3,(H,45,52)(H,46,51)(H,47,54)(H2,44,48,55);6-9,11-12,14-17,19,23-25,34H,1,10,13,18H2,2-5H3,(H,31,35)(H2,30,32,36);4-6,8-9,11-14,16,20,22,32H,7,10,15,26H2,1-3H3,(H,28,31)(H2,27,29,33);3-5,7-8,10-13,18-19,27H,6,9,14,23H2,1-2H3,(H2,24,25,28);4,8-11,18H,1,5-7H2,2-3H3,(H3,14,15)(H,16,19);2*4-5,12H,1-3,7H2,(H2,8,9);4-5,11H,1-3,7H2,(H3,8,9);7*1H;2*1H/i53T;34T;32T;27T;18T;12T;;11T;7*1D;;
InChIKeyYCWZRTJEBFMSPR-WTLOBKOUSA-N
MW3413.80 g/mol
LogP11.54
Rot. Bonds39

About 3-amino-2-hydroxy-N'-nitropiperidine-1-carboximidamide;3-amino-N'-nitro-2-tritiooxypiperidine-1-carboximidamide;3-amino-2-tritiooxypiperidine-1-carboximidamide;deuterio(sulfanylidene)borane;4-methylpent-1-en-3-yl N-(1-carbamimidoyl-2-tritiooxypiperidin-3-yl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(2-aminopropanoylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-(3-amino-2-tritiooxypiperidine-1-carboximidoyl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoyl]amino]propanoylamino]-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(4-methylpent-1-en-3-yloxycarbonylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;dihydrochloride

3-amino-2-hydroxy-N'-nitropiperidine-1-carboximidamide;3-amino-N'-nitro-2-tritiooxypiperidine-1-carboximidamide;3-amino-2-tritiooxypiperidine-1-carboximidamide;deuterio(sulfanylidene)borane;4-methylpent-1-en-3-yl N-(1-carbamimidoyl-2-tritiooxypiperidin-3-yl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(2-aminopropanoylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-(3-amino-2-tritiooxypiperidine-1-carboximidoyl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoyl]amino]propanoylamino]-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(4-methylpent-1-en-3-yloxycarbonylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;dihydrochloride (PubChem CID 172929036) has the molecular formula C150H220B7Cl2N37O30S7 and a molecular weight of 3413.80 g/mol. Its IUPAC name is 3-amino-2-hydroxy-N'-nitropiperidine-1-carboximidamide;3-amino-N'-nitro-2-tritiooxypiperidine-1-carboximidamide;3-amino-2-tritiooxypiperidine-1-carboximidamide;deuterio(sulfanylidene)borane;4-methylpent-1-en-3-yl N-(1-carbamimidoyl-2-tritiooxypiperidin-3-yl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(2-aminopropanoylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-(3-amino-2-tritiooxypiperidine-1-carboximidoyl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoyl]amino]propanoylamino]-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(4-methylpent-1-en-3-yloxycarbonylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;dihydrochloride.

Molecular Properties

Compound Name3-amino-2-hydroxy-N'-nitropiperidine-1-carboximidamide;3-amino-N'-nitro-2-tritiooxypiperidine-1-carboximidamide;3-amino-2-tritiooxypiperidine-1-carboximidamide;deuterio(sulfanylidene)borane;4-methylpent-1-en-3-yl N-(1-carbamimidoyl-2-tritiooxypiperidin-3-yl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(2-aminopropanoylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-(3-amino-2-tritiooxypiperidine-1-carboximidoyl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoyl]amino]propanoylamino]-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(4-methylpent-1-en-3-yloxycarbonylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;dihydrochloride
PubChem CID172929036
Molecular FormulaC150H220B7Cl2N37O30S7
Molecular Weight3413.80 g/mol
Exact Mass3411.59
IUPAC Name3-amino-2-hydroxy-N'-nitropiperidine-1-carboximidamide;3-amino-N'-nitro-2-tritiooxypiperidine-1-carboximidamide;3-amino-2-tritiooxypiperidine-1-carboximidamide;deuterio(sulfanylidene)borane;4-methylpent-1-en-3-yl N-(1-carbamimidoyl-2-tritiooxypiperidin-3-yl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(2-aminopropanoylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-(3-amino-2-tritiooxypiperidine-1-carboximidoyl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoyl]amino]propanoylamino]-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(4-methylpent-1-en-3-yloxycarbonylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;dihydrochloride
SMILESCl.Cl.N/C(=N\[N+](=O)[O-])N1CCCC(N)C1O.[2H]B=S.[2H]B=S.[2H]B=S.[2H]B=S.[2H]B=S.[2H]B=S.[2H]B=S.[3H]OC1C(N)CCCN1/C(N)=N/[N+](=O)[O-].[H]/N=C(\N)N1CCCC(N)C1O[3H].[H]/N=C(\N)N1CCCC(NC(=O)OC(C=C)C(C)C)C1O[3H].[H]/N=C(\NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)N1CCCC(N)C1O[3H].[H]/N=C(\NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)N1CCCC(NC(=O)C(C)N)C1O[3H].[H]/N=C(\NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)N1CCCC(NC(=O)C(C)NC(=O)C(CO)NC(=O)OCC2c3ccccc3-c3ccccc32)C1O[3H].[H]/N=C(\NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)N1CCCC(NC(=O)OC(C=C)C(C)C)C1O[3H]
InChIInChI=1S/C43H48N6O8.C29H38N4O5.C25H33N5O4.C22H28N4O3.C13H24N4O3.2C6H13N5O3.C6H14N4O.7BHS.2ClH/c1-26(45-38(52)36(24-50)47-41(54)56-25-34-32-16-9-7-14-30(32)31-15-8-10-17-33(31)34)37(51)46-35-18-11-23-49(39(35)53)40(44)48-42(55)57-43(2,3)29-21-19-28(20-22-29)27-12-5-4-6-13-27;1-6-24(19(2)3)37-27(35)31-23-13-10-18-33(25(23)34)26(30)32-28(36)38-29(4,5)22-16-14-21(15-17-22)20-11-8-7-9-12-20;1-16(26)21(31)28-20-10-7-15-30(22(20)32)23(27)29-24(33)34-25(2,3)19-13-11-18(12-14-19)17-8-5-4-6-9-17;1-22(2,17-12-10-16(11-13-17)15-7-4-3-5-8-15)29-21(28)25-20(24)26-14-6-9-18(23)19(26)27;1-4-10(8(2)3)20-13(19)16-9-6-5-7-17(11(9)18)12(14)15;2*7-4-2-1-3-10(5(4)12)6(8)9-11(13)14;7-4-2-1-3-10(5(4)11)6(8)9;7*1-2;;/h4-10,12-17,19-22,26,34-36,39,50,53H,11,18,23-25H2,1-3H3,(H,45,52)(H,46,51)(H,47,54)(H2,44,48,55);6-9,11-12,14-17,19,23-25,34H,1,10,13,18H2,2-5H3,(H,31,35)(H2,30,32,36);4-6,8-9,11-14,16,20,22,32H,7,10,15,26H2,1-3H3,(H,28,31)(H2,27,29,33);3-5,7-8,10-13,18-19,27H,6,9,14,23H2,1-2H3,(H2,24,25,28);4,8-11,18H,1,5-7H2,2-3H3,(H3,14,15)(H,16,19);2*4-5,12H,1-3,7H2,(H2,8,9);4-5,11H,1-3,7H2,(H3,8,9);7*1H;2*1H/i53T;34T;32T;27T;18T;12T;;11T;7*1D;;
InChIKeyYCWZRTJEBFMSPR-WTLOBKOUSA-N
XLogP11.54
TPSA1051.88 Ų
H-Bond Donors34
H-Bond Acceptors48
Rotatable Bonds39
Heavy Atoms233
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003413.80
LogP ≤ 511.54
H-Bond Donors ≤ 534
H-Bond Acceptors ≤ 1048

Analyze 3-amino-2-hydroxy-N'-nitropiperidine-1-carboximidamide;3-amino-N'-nitro-2-tritiooxypiperidine-1-carboximidamide;3-amino-2-tritiooxypiperidine-1-carboximidamide;deuterio(sulfanylidene)borane;4-methylpent-1-en-3-yl N-(1-carbamimidoyl-2-tritiooxypiperidin-3-yl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(2-aminopropanoylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-(3-amino-2-tritiooxypiperidine-1-carboximidoyl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoyl]amino]propanoylamino]-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(4-methylpent-1-en-3-yloxycarbonylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;dihydrochloride with MolForge

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Related Compounds

2-(4-phenylphenyl)propan-2-yl (NE)-N-[amino-(3-amino-2-tritiooxypiperidin-1-yl)methylidene]carbamate
CID 59081077
prop-2-enyl (NE)-N-[amino-[3-[[(2S)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2-methylpropan-2-yl)oxy]propanoyl]amino]propanoyl]amino]-2-(6-oxoheptoxy)piperidin-1-yl]methylidene]carbamate
CID 59904393
2-methylpropyl N-[(2R)-1-[[(2S)-1-[[2-ethoxy-1-[(E)-N'-nitrocarbamimidoyl]piperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 59904359
cis-(1R,2S)-2-[2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoylamino]cyclopentane-1-carboxylic acid
CID 178196245
trans-(1R,3R)-3-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 165446007
prop-2-enyl (2R)-2-[[(2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-methylbutanoyl]amino]-3-tritylsulfanylpropanoate
CID 11308603
prop-2-enyl (2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[2-[[(2S)-2-[2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]propanoylamino]propanoyl]amino]propanoylamino]propanoyl]amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]propanoylamino]-2-hydroxyacetyl]amino]propanoylamino]propanoyl]amino]propanoyl]amino]-5-(methylamino)-5-oxopentanoate;bis(triphenylphosphane)
CID 91561079
prop-2-enyl 2-[2-[2-[2-[[2-[2-[2-[2-[2-[2-[2-[2-[2-[[3-[deuterio(tritio)boranyl]sulfanyloxy-1-[[1-[[1-[(E)-N'-(9H-fluoren-9-ylmethoxycarbonyl)carbamimidoyl]-2-tritiooxypiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethyl-[2-[2-[2-[2-(heptylamino)-2-oxoethoxy]ethoxy]ethoxy]ethyl]amino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]acetyl]-[2-[2-[2-(2-oxo-2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethyl]amino]ethoxy]ethoxy]ethoxy]acetate
CID 59081001
(2S)-2-[[(2S)-1-[2-[[2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]acetyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoic acid
CID 175834844
9H-fluoren-9-ylmethyl N-[(2S)-1-[[(2R)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-[(4-phenylphenyl)methylsulfanyl]propan-2-yl]amino]-1-oxopropan-2-yl]carbamate
CID 102362011
(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-[(2R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]propanoic acid
CID 1268233
(2S)-2-[[(2S)-2-[[(2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoyl]amino]-4-methylpentanoyl]amino]propanoic acid
CID 22943221

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-hydroxy-N'-nitropiperidine-1-carboximidamide;3-amino-N'-nitro-2-tritiooxypiperidine-1-carboximidamide;3-amino-2-tritiooxypiperidine-1-carboximidamide;deuterio(sulfanylidene)borane;4-methylpent-1-en-3-yl N-(1-carbamimidoyl-2-tritiooxypiperidin-3-yl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(2-aminopropanoylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-(3-amino-2-tritiooxypiperidine-1-carboximidoyl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoyl]amino]propanoylamino]-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(4-methylpent-1-en-3-yloxycarbonylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;dihydrochloride?
The IUPAC name of 3-amino-2-hydroxy-N'-nitropiperidine-1-carboximidamide;3-amino-N'-nitro-2-tritiooxypiperidine-1-carboximidamide;3-amino-2-tritiooxypiperidine-1-carboximidamide;deuterio(sulfanylidene)borane;4-methylpent-1-en-3-yl N-(1-carbamimidoyl-2-tritiooxypiperidin-3-yl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(2-aminopropanoylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-(3-amino-2-tritiooxypiperidine-1-carboximidoyl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoyl]amino]propanoylamino]-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(4-methylpent-1-en-3-yloxycarbonylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;dihydrochloride (CID 172929036) is 3-amino-2-hydroxy-N'-nitropiperidine-1-carboximidamide;3-amino-N'-nitro-2-tritiooxypiperidine-1-carboximidamide;3-amino-2-tritiooxypiperidine-1-carboximidamide;deuterio(sulfanylidene)borane;4-methylpent-1-en-3-yl N-(1-carbamimidoyl-2-tritiooxypiperidin-3-yl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(2-aminopropanoylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-(3-amino-2-tritiooxypiperidine-1-carboximidoyl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoyl]amino]propanoylamino]-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(4-methylpent-1-en-3-yloxycarbonylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;dihydrochloride.
What is the SMILES notation for 3-amino-2-hydroxy-N'-nitropiperidine-1-carboximidamide;3-amino-N'-nitro-2-tritiooxypiperidine-1-carboximidamide;3-amino-2-tritiooxypiperidine-1-carboximidamide;deuterio(sulfanylidene)borane;4-methylpent-1-en-3-yl N-(1-carbamimidoyl-2-tritiooxypiperidin-3-yl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(2-aminopropanoylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-(3-amino-2-tritiooxypiperidine-1-carboximidoyl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoyl]amino]propanoylamino]-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(4-methylpent-1-en-3-yloxycarbonylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;dihydrochloride?
The canonical SMILES for 3-amino-2-hydroxy-N'-nitropiperidine-1-carboximidamide;3-amino-N'-nitro-2-tritiooxypiperidine-1-carboximidamide;3-amino-2-tritiooxypiperidine-1-carboximidamide;deuterio(sulfanylidene)borane;4-methylpent-1-en-3-yl N-(1-carbamimidoyl-2-tritiooxypiperidin-3-yl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(2-aminopropanoylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-(3-amino-2-tritiooxypiperidine-1-carboximidoyl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoyl]amino]propanoylamino]-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(4-methylpent-1-en-3-yloxycarbonylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;dihydrochloride is Cl.Cl.N/C(=N\[N+](=O)[O-])N1CCCC(N)C1O.[2H]B=S.[2H]B=S.[2H]B=S.[2H]B=S.[2H]B=S.[2H]B=S.[2H]B=S.[3H]OC1C(N)CCCN1/C(N)=N/[N+](=O)[O-].[H]/N=C(\N)N1CCCC(N)C1O[3H].[H]/N=C(\N)N1CCCC(NC(=O)OC(C=C)C(C)C)C1O[3H].[H]/N=C(\NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)N1CCCC(N)C1O[3H].[H]/N=C(\NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)N1CCCC(NC(=O)C(C)N)C1O[3H].[H]/N=C(\NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)N1CCCC(NC(=O)C(C)NC(=O)C(CO)NC(=O)OCC2c3ccccc3-c3ccccc32)C1O[3H].[H]/N=C(\NC(=O)OC(C)(C)c1ccc(-c2ccccc2)cc1)N1CCCC(NC(=O)OC(C=C)C(C)C)C1O[3H].
What is the InChIKey of 3-amino-2-hydroxy-N'-nitropiperidine-1-carboximidamide;3-amino-N'-nitro-2-tritiooxypiperidine-1-carboximidamide;3-amino-2-tritiooxypiperidine-1-carboximidamide;deuterio(sulfanylidene)borane;4-methylpent-1-en-3-yl N-(1-carbamimidoyl-2-tritiooxypiperidin-3-yl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(2-aminopropanoylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-(3-amino-2-tritiooxypiperidine-1-carboximidoyl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoyl]amino]propanoylamino]-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(4-methylpent-1-en-3-yloxycarbonylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;dihydrochloride?
The InChIKey is YCWZRTJEBFMSPR-WTLOBKOUSA-N. The full InChI is InChI=1S/C43H48N6O8.C29H38N4O5.C25H33N5O4.C22H28N4O3.C13H24N4O3.2C6H13N5O3.C6H14N4O.7BHS.2ClH/c1-26(45-38(52)36(24-50)47-41(54)56-25-34-32-16-9-7-14-30(32)31-15-8-10-17-33(31)34)37(51)46-35-18-11-23-49(39(35)53)40(44)48-42(55)57-43(2,3)29-21-19-28(20-22-29)27-12-5-4-6-13-27;1-6-24(19(2)3)37-27(35)31-23-13-10-18-33(25(23)34)26(30)32-28(36)38-29(4,5)22-16-14-21(15-17-22)20-11-8-7-9-12-20;1-16(26)21(31)28-20-10-7-15-30(22(20)32)23(27)29-24(33)34-25(2,3)19-13-11-18(12-14-19)17-8-5-4-6-9-17;1-22(2,17-12-10-16(11-13-17)15-7-4-3-5-8-15)29-21(28)25-20(24)26-14-6-9-18(23)19(26)27;1-4-10(8(2)3)20-13(19)16-9-6-5-7-17(11(9)18)12(14)15;2*7-4-2-1-3-10(5(4)12)6(8)9-11(13)14;7-4-2-1-3-10(5(4)11)6(8)9;7*1-2;;/h4-10,12-17,19-22,26,34-36,39,50,53H,11,18,23-25H2,1-3H3,(H,45,52)(H,46,51)(H,47,54)(H2,44,48,55);6-9,11-12,14-17,19,23-25,34H,1,10,13,18H2,2-5H3,(H,31,35)(H2,30,32,36);4-6,8-9,11-14,16,20,22,32H,7,10,15,26H2,1-3H3,(H,28,31)(H2,27,29,33);3-5,7-8,10-13,18-19,27H,6,9,14,23H2,1-2H3,(H2,24,25,28);4,8-11,18H,1,5-7H2,2-3H3,(H3,14,15)(H,16,19);2*4-5,12H,1-3,7H2,(H2,8,9);4-5,11H,1-3,7H2,(H3,8,9);7*1H;2*1H/i53T;34T;32T;27T;18T;12T;;11T;7*1D;;.
What are the key properties of 3-amino-2-hydroxy-N'-nitropiperidine-1-carboximidamide;3-amino-N'-nitro-2-tritiooxypiperidine-1-carboximidamide;3-amino-2-tritiooxypiperidine-1-carboximidamide;deuterio(sulfanylidene)borane;4-methylpent-1-en-3-yl N-(1-carbamimidoyl-2-tritiooxypiperidin-3-yl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(2-aminopropanoylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-(3-amino-2-tritiooxypiperidine-1-carboximidoyl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoyl]amino]propanoylamino]-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(4-methylpent-1-en-3-yloxycarbonylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;dihydrochloride?
3-amino-2-hydroxy-N'-nitropiperidine-1-carboximidamide;3-amino-N'-nitro-2-tritiooxypiperidine-1-carboximidamide;3-amino-2-tritiooxypiperidine-1-carboximidamide;deuterio(sulfanylidene)borane;4-methylpent-1-en-3-yl N-(1-carbamimidoyl-2-tritiooxypiperidin-3-yl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(2-aminopropanoylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-(3-amino-2-tritiooxypiperidine-1-carboximidoyl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoyl]amino]propanoylamino]-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(4-methylpent-1-en-3-yloxycarbonylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;dihydrochloride has a molecular weight of 3413.80 g/mol, XLogP of 11.54, 39 rotatable bonds, 34 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-hydroxy-N'-nitropiperidine-1-carboximidamide;3-amino-N'-nitro-2-tritiooxypiperidine-1-carboximidamide;3-amino-2-tritiooxypiperidine-1-carboximidamide;deuterio(sulfanylidene)borane;4-methylpent-1-en-3-yl N-(1-carbamimidoyl-2-tritiooxypiperidin-3-yl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(2-aminopropanoylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-(3-amino-2-tritiooxypiperidine-1-carboximidoyl)carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-[2-[[2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-hydroxypropanoyl]amino]propanoylamino]-2-tritiooxypiperidine-1-carboximidoyl]carbamate;2-(4-phenylphenyl)propan-2-yl N-[3-(4-methylpent-1-en-3-yloxycarbonylamino)-2-tritiooxypiperidine-1-carboximidoyl]carbamate;dihydrochloride is sourced from PubChem (CID 172929036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).