N'-[1-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7-[[1-[3-(4-ethyl-2H-triazol-1-ium-1-yl)propylamino]-7-[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-1,7-dioxoheptan-4-yl]-8,8-bis[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-[7-(4-ethyltriazol-1-yl)-3-oxoheptyl]-N-[3-(4-ethyltriazol-1-yl)propyl]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-6,10-dioxotridecanediamide;methane

C213H348N77O26+ — CID 162128500

IUPACN'-[1-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7-[[1-[3-(4-ethyl-2H-triazol-1-ium-1-yl)propylamino]-7-[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-1,7-dioxoheptan-4-yl]-8,8-bis[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-[7-(4-ethyltriazol-1-yl)-3-oxoheptyl]-N-[3-(4-ethyltriazol-1-yl)propyl]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-6,10-dioxotridecanediamide;methane
SMILESC.CCc1cn(CCCCC(=O)CCC(CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NCCCn2cc(CC)nn2)CC(=O)CC(CCC(=O)NC(CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NCCCn2cc(CC)nn2)CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NC(CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NCCCn2cc(CC)nn2)CCC(=O)NCCCn2cc(CC)nn2)CC(=O)CCC(=O)NC(CCC(=O)NC(CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NCCCn2cc(CC)nn2)CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NC(CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NCCCn2cc(CC)nn2)CCC(=O)NCCCn2cc(CC)nn2)CCC(=O)NC(CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NCCCn2cc(CC)nn2)CCC(=O)NCCC[n+]2cc(CC)n[nH]2)nn1
InChIInChI=1S/C212H343N77O26.CH4/c1-19-161-143-272(254-236-161)122-38-37-56-179(290)59-82-205(83-60-182(293)213-105-39-123-273-144-162(20-2)237-255-273,84-61-183(294)214-106-40-124-274-145-163(21-3)238-256-274)141-181(292)142-206(85-62-200(311)231-207(87-64-184(295)215-107-41-125-275-146-164(22-4)239-257-275,88-65-185(296)216-108-42-126-276-147-165(23-5)240-258-276)89-66-186(297)217-109-43-127-277-148-166(24-6)241-259-277,86-63-201(312)232-208(90-67-187(298)218-110-44-128-278-149-167(25-7)242-260-278,91-68-188(299)219-111-45-129-279-150-168(26-8)243-261-279)92-69-189(300)220-112-46-130-280-151-169(27-9)244-262-280)140-180(291)57-58-199(310)230-212(102-79-202(313)233-209(93-70-190(301)221-113-47-131-281-152-170(28-10)245-263-281,94-71-191(302)222-114-48-132-282-153-171(29-11)246-264-282)95-72-192(303)223-115-49-133-283-154-172(30-12)247-265-283,103-80-203(314)234-210(96-73-193(304)224-116-50-134-284-155-173(31-13)248-266-284,97-74-194(305)225-117-51-135-285-156-174(32-14)249-267-285)98-75-195(306)226-118-52-136-286-157-175(33-15)250-268-286)104-81-204(315)235-211(99-76-196(307)227-119-53-137-287-158-176(34-16)251-269-287,100-77-197(308)228-120-54-138-288-159-177(35-17)252-270-288)101-78-198(309)229-121-55-139-289-160-178(36-18)253-271-289;/h143-160H,19-142H2,1-18H3,(H23,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,293,294,295,296,297,298,299,300,301,302,303,304,305,306,307,308,309,310,311,312,313,314,315);1H4/p+1
InChIKeyQOFDAPWJNBOPJN-UHFFFAOYSA-O
MW4403.64 g/mol
LogP10.90
Rot. Bonds175

About N'-[1-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7-[[1-[3-(4-ethyl-2H-triazol-1-ium-1-yl)propylamino]-7-[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-1,7-dioxoheptan-4-yl]-8,8-bis[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-[7-(4-ethyltriazol-1-yl)-3-oxoheptyl]-N-[3-(4-ethyltriazol-1-yl)propyl]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-6,10-dioxotridecanediamide;methane

N'-[1-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7-[[1-[3-(4-ethyl-2H-triazol-1-ium-1-yl)propylamino]-7-[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-1,7-dioxoheptan-4-yl]-8,8-bis[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-[7-(4-ethyltriazol-1-yl)-3-oxoheptyl]-N-[3-(4-ethyltriazol-1-yl)propyl]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-6,10-dioxotridecanediamide;methane (PubChem CID 162128500) has the molecular formula C213H348N77O26+ and a molecular weight of 4403.64 g/mol. Its IUPAC name is N'-[1-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7-[[1-[3-(4-ethyl-2H-triazol-1-ium-1-yl)propylamino]-7-[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-1,7-dioxoheptan-4-yl]-8,8-bis[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-[7-(4-ethyltriazol-1-yl)-3-oxoheptyl]-N-[3-(4-ethyltriazol-1-yl)propyl]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-6,10-dioxotridecanediamide;methane.

Molecular Properties

Compound NameN'-[1-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7-[[1-[3-(4-ethyl-2H-triazol-1-ium-1-yl)propylamino]-7-[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-1,7-dioxoheptan-4-yl]-8,8-bis[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-[7-(4-ethyltriazol-1-yl)-3-oxoheptyl]-N-[3-(4-ethyltriazol-1-yl)propyl]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-6,10-dioxotridecanediamide;methane
PubChem CID162128500
Molecular FormulaC213H348N77O26+
Molecular Weight4403.64 g/mol
Exact Mass4400.83
IUPAC NameN'-[1-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7-[[1-[3-(4-ethyl-2H-triazol-1-ium-1-yl)propylamino]-7-[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-1,7-dioxoheptan-4-yl]-8,8-bis[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-[7-(4-ethyltriazol-1-yl)-3-oxoheptyl]-N-[3-(4-ethyltriazol-1-yl)propyl]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-6,10-dioxotridecanediamide;methane
SMILESC.CCc1cn(CCCCC(=O)CCC(CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NCCCn2cc(CC)nn2)CC(=O)CC(CCC(=O)NC(CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NCCCn2cc(CC)nn2)CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NC(CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NCCCn2cc(CC)nn2)CCC(=O)NCCCn2cc(CC)nn2)CC(=O)CCC(=O)NC(CCC(=O)NC(CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NCCCn2cc(CC)nn2)CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NC(CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NCCCn2cc(CC)nn2)CCC(=O)NCCCn2cc(CC)nn2)CCC(=O)NC(CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NCCCn2cc(CC)nn2)CCC(=O)NCCC[n+]2cc(CC)n[nH]2)nn1
InChIInChI=1S/C212H343N77O26.CH4/c1-19-161-143-272(254-236-161)122-38-37-56-179(290)59-82-205(83-60-182(293)213-105-39-123-273-144-162(20-2)237-255-273,84-61-183(294)214-106-40-124-274-145-163(21-3)238-256-274)141-181(292)142-206(85-62-200(311)231-207(87-64-184(295)215-107-41-125-275-146-164(22-4)239-257-275,88-65-185(296)216-108-42-126-276-147-165(23-5)240-258-276)89-66-186(297)217-109-43-127-277-148-166(24-6)241-259-277,86-63-201(312)232-208(90-67-187(298)218-110-44-128-278-149-167(25-7)242-260-278,91-68-188(299)219-111-45-129-279-150-168(26-8)243-261-279)92-69-189(300)220-112-46-130-280-151-169(27-9)244-262-280)140-180(291)57-58-199(310)230-212(102-79-202(313)233-209(93-70-190(301)221-113-47-131-281-152-170(28-10)245-263-281,94-71-191(302)222-114-48-132-282-153-171(29-11)246-264-282)95-72-192(303)223-115-49-133-283-154-172(30-12)247-265-283,103-80-203(314)234-210(96-73-193(304)224-116-50-134-284-155-173(31-13)248-266-284,97-74-194(305)225-117-51-135-285-156-174(32-14)249-267-285)98-75-195(306)226-118-52-136-286-157-175(33-15)250-268-286)104-81-204(315)235-211(99-76-196(307)227-119-53-137-287-158-176(34-16)251-269-287,100-77-197(308)228-120-54-138-288-159-177(35-17)252-270-288)101-78-198(309)229-121-55-139-289-160-178(36-18)253-271-289;/h143-160H,19-142H2,1-18H3,(H23,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,293,294,295,296,297,298,299,300,301,302,303,304,305,306,307,308,309,310,311,312,313,314,315);1H4/p+1
InChIKeyQOFDAPWJNBOPJN-UHFFFAOYSA-O
XLogP10.90
TPSA1275.14 Ų
H-Bond Donors24
H-Bond Acceptors78
Rotatable Bonds175
Heavy Atoms316
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004403.64
LogP ≤ 510.90
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1078

Analyze N'-[1-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7-[[1-[3-(4-ethyl-2H-triazol-1-ium-1-yl)propylamino]-7-[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-1,7-dioxoheptan-4-yl]-8,8-bis[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-[7-(4-ethyltriazol-1-yl)-3-oxoheptyl]-N-[3-(4-ethyltriazol-1-yl)propyl]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-6,10-dioxotridecanediamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[1,7-bis[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]-8,8-bis[3-[[1,7-bis(methylamino)-4-[3-(methylamino)-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-N-methyl-4-[3-(methylamino)-3-oxopropyl]-6,10-dioxo-4-(3-oxopentyl)tridecanediamide
CID 159682188
tert-butyl N-[12-[6-[4-[5-[[15-acetamido-1-[[1-(2-acetamidoethylamino)-4-[3-(2-acetamidoethylamino)-3-oxopropyl]-1,7-dioxo-7-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]heptan-4-yl]amino]-4-[3-[[1,7-bis(2-acetamidoethylamino)-4-[3-(2-acetamidoethylamino)-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-1,7,12-trioxo-9,9-bis[3-oxo-3-(4-oxopentylamino)propyl]pentadecan-4-yl]amino]-5-oxopentyl]triazol-1-yl]hexanoylamino]-15-[[1,7-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-4-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-12-[3-[[1,7-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-4-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7,7-bis[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-oxopropyl]-4,9,15-trioxopentadecyl]carbamate
CID 58479118
ethane;N-[3-(4-ethyltriazol-1-yl)propyl]-6-phosphanylhexanamide
CID 153389003
N-[3-[4-(aminomethyl)triazol-1-yl]propyl]pentanamide
CID 167455307
tert-butyl N-[12-[6-[4-[5-[[15-acetamido-1-[[1-(2-acetamidoethylamino)-4-[3-(2-acetamidoethylamino)-3-oxopropyl]-1,7-dioxo-7-[2-[(2,2,2-trifluoroacetyl)amino]ethylamino]heptan-4-yl]amino]-4-[3-[[1,7-bis(2-acetamidoethylamino)-4-[3-(2-acetamidoethylamino)-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-1,7,12-trioxo-9,9-bis[3-oxo-3-(4-oxopentylamino)propyl]pentadecan-4-yl]amino]-5-oxopentyl]triazol-1-yl]hexanoylamino]-15-[[1,7-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-4-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-12-[3-[[1,7-bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-4-[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7,7-bis[3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-3-oxopropyl]-4,9,15-trioxopentadecyl]carbamate;methanamine;3-(pyridin-2-yldisulfanyl)propanoic acid
CID 157462179
N'-[1,7-bis[[1,7-bis(3-azidopropylamino)-4-[3-(3-azidopropylamino)-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis(3-azidopropylamino)-4-[3-(3-azidopropylamino)-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]-4-[3,8-dioxo-5,5-bis(3-oxobutyl)nonyl]-N-[2,8-dioxo-5-(3-oxobutyl)nonan-5-yl]-4-[3-[[2,8-dioxo-5-(3-oxobutyl)nonan-5-yl]amino]-3-oxopropyl]-6-oxononanediamide
CID 159199050
2-[[4-[[4-[3-[[1,7-bis[2-[[N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-9,9-bis[3-[2-[[N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-4-[6-[4-[5-[[1-[[1,7-dioxo-4-[3-oxo-3-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethylamino]propyl]-1,7-bis[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethylamino]heptan-4-yl]amino]-4-[3-[[1,7-dioxo-4-[3-oxo-3-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethylamino]propyl]-1,7-bis[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethylamino]heptan-4-yl]amino]-3-oxopropyl]-1,7,12-trioxo-9,9-bis[3-oxo-3-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethylamino]propyl]-12-[2-[3-(pyridin-2-yldisulfanyl)propanoylamino]ethylamino]dodecan-4-yl]amino]-5-oxopentyl]triazol-1-yl]hexanoylamino]-12-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[(2-methylpropan-2-yl)oxycarbonylimino]butyl]amino]-7,12-dioxododecanoyl]amino]-7-[2-[[N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-4-[3-[2-[[N,N'-bis[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]amino]ethylamino]-3-oxopropyl]-7-oxoheptanoyl]amino]ethyl-[(2-methylpropan-2-yl)oxycarbonylamino]-[(2-methylpropan-2-yl)oxycarbonylimino]azanium
CID 91802520
3-[3-[4-(methoxymethyl)triazol-1-yl]propylamino]-3-oxopropane-1-thiolate
CID 144515281
ethane;3-methyl-N-[4-(4-propyltriazol-1-yl)butyl]butanamide;10-[4-(2-methylpropyl)triazol-1-yl]decan-3-one
CID 164535699
CID 169190126
CID 169190126
N-[2-(4-ethyltriazol-1-yl)ethyl]acetamide
CID 118975386
3-(4-ethyltriazol-1-yl)-N-propan-2-ylpropan-1-amine
CID 146611459

Frequently Asked Questions

What is the IUPAC name of N'-[1-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7-[[1-[3-(4-ethyl-2H-triazol-1-ium-1-yl)propylamino]-7-[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-1,7-dioxoheptan-4-yl]-8,8-bis[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-[7-(4-ethyltriazol-1-yl)-3-oxoheptyl]-N-[3-(4-ethyltriazol-1-yl)propyl]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-6,10-dioxotridecanediamide;methane?
The IUPAC name of N'-[1-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7-[[1-[3-(4-ethyl-2H-triazol-1-ium-1-yl)propylamino]-7-[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-1,7-dioxoheptan-4-yl]-8,8-bis[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-[7-(4-ethyltriazol-1-yl)-3-oxoheptyl]-N-[3-(4-ethyltriazol-1-yl)propyl]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-6,10-dioxotridecanediamide;methane (CID 162128500) is N'-[1-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7-[[1-[3-(4-ethyl-2H-triazol-1-ium-1-yl)propylamino]-7-[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-1,7-dioxoheptan-4-yl]-8,8-bis[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-[7-(4-ethyltriazol-1-yl)-3-oxoheptyl]-N-[3-(4-ethyltriazol-1-yl)propyl]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-6,10-dioxotridecanediamide;methane.
What is the SMILES notation for N'-[1-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7-[[1-[3-(4-ethyl-2H-triazol-1-ium-1-yl)propylamino]-7-[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-1,7-dioxoheptan-4-yl]-8,8-bis[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-[7-(4-ethyltriazol-1-yl)-3-oxoheptyl]-N-[3-(4-ethyltriazol-1-yl)propyl]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-6,10-dioxotridecanediamide;methane?
The canonical SMILES for N'-[1-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7-[[1-[3-(4-ethyl-2H-triazol-1-ium-1-yl)propylamino]-7-[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-1,7-dioxoheptan-4-yl]-8,8-bis[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-[7-(4-ethyltriazol-1-yl)-3-oxoheptyl]-N-[3-(4-ethyltriazol-1-yl)propyl]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-6,10-dioxotridecanediamide;methane is C.CCc1cn(CCCCC(=O)CCC(CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NCCCn2cc(CC)nn2)CC(=O)CC(CCC(=O)NC(CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NCCCn2cc(CC)nn2)CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NC(CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NCCCn2cc(CC)nn2)CCC(=O)NCCCn2cc(CC)nn2)CC(=O)CCC(=O)NC(CCC(=O)NC(CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NCCCn2cc(CC)nn2)CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NC(CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NCCCn2cc(CC)nn2)CCC(=O)NCCCn2cc(CC)nn2)CCC(=O)NC(CCC(=O)NCCCn2cc(CC)nn2)(CCC(=O)NCCCn2cc(CC)nn2)CCC(=O)NCCC[n+]2cc(CC)n[nH]2)nn1.
What is the InChIKey of N'-[1-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7-[[1-[3-(4-ethyl-2H-triazol-1-ium-1-yl)propylamino]-7-[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-1,7-dioxoheptan-4-yl]-8,8-bis[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-[7-(4-ethyltriazol-1-yl)-3-oxoheptyl]-N-[3-(4-ethyltriazol-1-yl)propyl]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-6,10-dioxotridecanediamide;methane?
The InChIKey is QOFDAPWJNBOPJN-UHFFFAOYSA-O. The full InChI is InChI=1S/C212H343N77O26.CH4/c1-19-161-143-272(254-236-161)122-38-37-56-179(290)59-82-205(83-60-182(293)213-105-39-123-273-144-162(20-2)237-255-273,84-61-183(294)214-106-40-124-274-145-163(21-3)238-256-274)141-181(292)142-206(85-62-200(311)231-207(87-64-184(295)215-107-41-125-275-146-164(22-4)239-257-275,88-65-185(296)216-108-42-126-276-147-165(23-5)240-258-276)89-66-186(297)217-109-43-127-277-148-166(24-6)241-259-277,86-63-201(312)232-208(90-67-187(298)218-110-44-128-278-149-167(25-7)242-260-278,91-68-188(299)219-111-45-129-279-150-168(26-8)243-261-279)92-69-189(300)220-112-46-130-280-151-169(27-9)244-262-280)140-180(291)57-58-199(310)230-212(102-79-202(313)233-209(93-70-190(301)221-113-47-131-281-152-170(28-10)245-263-281,94-71-191(302)222-114-48-132-282-153-171(29-11)246-264-282)95-72-192(303)223-115-49-133-283-154-172(30-12)247-265-283,103-80-203(314)234-210(96-73-193(304)224-116-50-134-284-155-173(31-13)248-266-284,97-74-194(305)225-117-51-135-285-156-174(32-14)249-267-285)98-75-195(306)226-118-52-136-286-157-175(33-15)250-268-286)104-81-204(315)235-211(99-76-196(307)227-119-53-137-287-158-176(34-16)251-269-287,100-77-197(308)228-120-54-138-288-159-177(35-17)252-270-288)101-78-198(309)229-121-55-139-289-160-178(36-18)253-271-289;/h143-160H,19-142H2,1-18H3,(H23,213,214,215,216,217,218,219,220,221,222,223,224,225,226,227,228,229,230,231,232,233,234,235,293,294,295,296,297,298,299,300,301,302,303,304,305,306,307,308,309,310,311,312,313,314,315);1H4/p+1.
What are the key properties of N'-[1-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7-[[1-[3-(4-ethyl-2H-triazol-1-ium-1-yl)propylamino]-7-[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-1,7-dioxoheptan-4-yl]-8,8-bis[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-[7-(4-ethyltriazol-1-yl)-3-oxoheptyl]-N-[3-(4-ethyltriazol-1-yl)propyl]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-6,10-dioxotridecanediamide;methane?
N'-[1-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7-[[1-[3-(4-ethyl-2H-triazol-1-ium-1-yl)propylamino]-7-[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-1,7-dioxoheptan-4-yl]-8,8-bis[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-[7-(4-ethyltriazol-1-yl)-3-oxoheptyl]-N-[3-(4-ethyltriazol-1-yl)propyl]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-6,10-dioxotridecanediamide;methane has a molecular weight of 4403.64 g/mol, XLogP of 10.90, 175 rotatable bonds, 24 hydrogen bond donors, and 78 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-4-[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-7-[[1-[3-(4-ethyl-2H-triazol-1-ium-1-yl)propylamino]-7-[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-1,7-dioxoheptan-4-yl]-8,8-bis[3-[[1,7-bis[3-(4-ethyltriazol-1-yl)propylamino]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-1,7-dioxoheptan-4-yl]amino]-3-oxopropyl]-4-[7-(4-ethyltriazol-1-yl)-3-oxoheptyl]-N-[3-(4-ethyltriazol-1-yl)propyl]-4-[3-[3-(4-ethyltriazol-1-yl)propylamino]-3-oxopropyl]-6,10-dioxotridecanediamide;methane is sourced from PubChem (CID 162128500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).