(2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide

C204H411N63O31 — CID 167681648

IUPAC(2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide
SMILESCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC
InChIInChI=1S/C204H411N63O31/c1-18-237-182(276)159(257-200(294)171(266-204(298)173(267-203(297)170(264-197(291)158(236-17)96-34-65-127-220)108-46-77-135-245-181(275)150(228-9)88-26-57-119-212)111-49-80-141-249-186(280)163(256-193(287)154(232-13)92-30-61-123-216)101-39-69-131-241-177(271)146(224-5)84-22-53-115-208)109-47-79-142-252-188(282)165(259-199(293)168(262-195(289)156(234-15)94-32-63-125-218)106-44-75-133-243-179(273)148(226-7)86-24-55-117-210)103-41-72-138-247-184(278)161(254-191(285)152(230-11)90-28-59-121-214)99-37-67-129-239-175(269)144(222-3)82-20-51-113-206)97-35-70-136-250-189(283)166(260-201(295)172(265-202(296)169(263-196(290)157(235-16)95-33-64-126-219)107-45-76-134-244-180(274)149(227-8)87-25-56-118-211)110-48-78-140-248-185(279)162(255-192(286)153(231-12)91-29-60-122-215)100-38-68-130-240-176(270)145(223-4)83-21-52-114-207)104-42-73-139-251-187(281)164(258-198(292)167(261-194(288)155(233-14)93-31-62-124-217)105-43-74-132-242-178(272)147(225-6)85-23-54-116-209)102-40-71-137-246-183(277)160(253-190(284)151(229-10)89-27-58-120-213)98-36-66-128-238-174(268)143(221-2)81-19-50-112-205/h143-173,221-236H,18-142,205-220H2,1-17H3,(H,237,276)(H,238,268)(H,239,269)(H,240,270)(H,241,271)(H,242,272)(H,243,273)(H,244,274)(H,245,275)(H,246,277)(H,247,278)(H,248,279)(H,249,280)(H,250,283)(H,251,281)(H,252,282)(H,253,284)(H,254,285)(H,255,286)(H,256,287)(H,257,294)(H,258,292)(H,259,293)(H,260,295)(H,261,288)(H,262,289)(H,263,290)(H,264,291)(H,265,296)(H,266,298)(H,267,297)/t143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-/m0/s1
InChIKeyGEOAEMZEVLSKQR-NJEOWYSWSA-N
MW4242.94 g/mol
LogP-7.84
Rot. Bonds202

About (2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide

(2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide (PubChem CID 167681648) has the molecular formula C204H411N63O31 and a molecular weight of 4242.94 g/mol. Its IUPAC name is (2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide.

Molecular Properties

Compound Name(2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide
PubChem CID167681648
Molecular FormulaC204H411N63O31
Molecular Weight4242.94 g/mol
Exact Mass4240.25
IUPAC Name(2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide
SMILESCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC
InChIInChI=1S/C204H411N63O31/c1-18-237-182(276)159(257-200(294)171(266-204(298)173(267-203(297)170(264-197(291)158(236-17)96-34-65-127-220)108-46-77-135-245-181(275)150(228-9)88-26-57-119-212)111-49-80-141-249-186(280)163(256-193(287)154(232-13)92-30-61-123-216)101-39-69-131-241-177(271)146(224-5)84-22-53-115-208)109-47-79-142-252-188(282)165(259-199(293)168(262-195(289)156(234-15)94-32-63-125-218)106-44-75-133-243-179(273)148(226-7)86-24-55-117-210)103-41-72-138-247-184(278)161(254-191(285)152(230-11)90-28-59-121-214)99-37-67-129-239-175(269)144(222-3)82-20-51-113-206)97-35-70-136-250-189(283)166(260-201(295)172(265-202(296)169(263-196(290)157(235-16)95-33-64-126-219)107-45-76-134-244-180(274)149(227-8)87-25-56-118-211)110-48-78-140-248-185(279)162(255-192(286)153(231-12)91-29-60-122-215)100-38-68-130-240-176(270)145(223-4)83-21-52-114-207)104-42-73-139-251-187(281)164(258-198(292)167(261-194(288)155(233-14)93-31-62-124-217)105-43-74-132-242-178(272)147(225-6)85-23-54-116-209)102-40-71-137-246-183(277)160(253-190(284)151(229-10)89-27-58-120-213)98-36-66-128-238-174(268)143(221-2)81-19-50-112-205/h143-173,221-236H,18-142,205-220H2,1-17H3,(H,237,276)(H,238,268)(H,239,269)(H,240,270)(H,241,271)(H,242,272)(H,243,273)(H,244,274)(H,245,275)(H,246,277)(H,247,278)(H,248,279)(H,249,280)(H,250,283)(H,251,281)(H,252,282)(H,253,284)(H,254,285)(H,255,286)(H,256,287)(H,257,294)(H,258,292)(H,259,293)(H,260,295)(H,261,288)(H,262,289)(H,263,290)(H,264,291)(H,265,296)(H,266,298)(H,267,297)/t143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-/m0/s1
InChIKeyGEOAEMZEVLSKQR-NJEOWYSWSA-N
XLogP-7.84
TPSA1510.90 Ų
H-Bond Donors63
H-Bond Acceptors63
Rotatable Bonds202
Heavy Atoms298
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004242.94
LogP ≤ 5-7.84
H-Bond Donors ≤ 563
H-Bond Acceptors ≤ 1063

Analyze (2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide 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-[6-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexyl]dodecanamide
CID 174243658
(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-(4-aminobutylamino)-1-oxohexan-2-yl]hexanamide
CID 72708054
6-amino-2-[[6-amino-2-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanamide
CID 89335377
(2S)-N-[(5S)-5-[[(2S)-2,6-bis(methylamino)hexanoyl]amino]-6-[[3-(ethylamino)-3-oxopropyl]amino]-6-oxohexyl]-2,6-bis(methylamino)hexanamide
CID 89221767
(2S)-2,6-diamino-N-[(5S)-6-[[(5S)-6-[[(5S)-6-[5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]pentylamino]-5-[[(2S)-6-[[(2S)-2,6-bis[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-2-[[2-[[(2S)-2,6-diaminohexanoyl]amino]-6-(2,6-diaminohexanoylamino)hexanoyl]amino]hexanoyl]amino]-6-oxohexyl]amino]-5-[[(2S)-2,6-bis[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]-6-oxohexyl]amino]-5-[[(2S)-2,6-diaminohexanoyl]amino]-6-oxohexyl]hexanamide
CID 88869320
4-[[6-amino-2-[[6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-5-[6-(dodecanoylamino)hexylamino]-5-oxopentanoic acid;ethane
CID 166081986
(2S)-N-[(5S)-6-amino-5-[[(2S)-2,6-bis(methylamino)hexanoyl]amino]-6-oxohexyl]-2,6-bis(methylamino)hexanamide;(2S)-2,6-bis(methylamino)hexanamide
CID 160758777
6-amino-N-octadecyl-2-(propanoylamino)hexanamide
CID 21362219
N-(2-aminoethyl)-N'-[(2S)-6-amino-1-oxo-1-(tetradecylamino)hexan-2-yl]-2-hexadecylpropanediamide
CID 102434558
2,6-diamino-N-[6-amino-1-[[5-[[6-amino-2-(2,6-diaminohexanoylamino)hexanoyl]amino]-6-oxoheptyl]amino]-1-oxohexan-2-yl]hexanamide;2,6-diamino-N-[6-[[5-[2,6-bis(2,6-diaminohexanoylamino)hexanoylamino]-6-oxoheptyl]amino]-5-(2,6-diaminohexanoylamino)-6-oxohexyl]hexanamide;2,6-diamino-N-[5-(2,6-diaminohexanoylamino)-6-oxoheptyl]hexanamide
CID 161482186
N-(2-aminoethyl)-N'-[(2S)-6-amino-1-oxo-1-(tetradecylamino)hexan-2-yl]-2-tetradecylpropanediamide
CID 102434564
(2S)-2-acetamido-6-amino-N-[(2S)-6-amino-1-[5-(diaminomethylideneamino)pentylamino]-1-oxohexan-2-yl]hexanamide
CID 53329971

Frequently Asked Questions

What is the IUPAC name of (2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide?
The IUPAC name of (2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide (CID 167681648) is (2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide.
What is the SMILES notation for (2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide?
The canonical SMILES for (2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide is CCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCNC(=O)[C@H](CCCCN)NC)NC(=O)[C@H](CCCCN)NC.
What is the InChIKey of (2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide?
The InChIKey is GEOAEMZEVLSKQR-NJEOWYSWSA-N. The full InChI is InChI=1S/C204H411N63O31/c1-18-237-182(276)159(257-200(294)171(266-204(298)173(267-203(297)170(264-197(291)158(236-17)96-34-65-127-220)108-46-77-135-245-181(275)150(228-9)88-26-57-119-212)111-49-80-141-249-186(280)163(256-193(287)154(232-13)92-30-61-123-216)101-39-69-131-241-177(271)146(224-5)84-22-53-115-208)109-47-79-142-252-188(282)165(259-199(293)168(262-195(289)156(234-15)94-32-63-125-218)106-44-75-133-243-179(273)148(226-7)86-24-55-117-210)103-41-72-138-247-184(278)161(254-191(285)152(230-11)90-28-59-121-214)99-37-67-129-239-175(269)144(222-3)82-20-51-113-206)97-35-70-136-250-189(283)166(260-201(295)172(265-202(296)169(263-196(290)157(235-16)95-33-64-126-219)107-45-76-134-244-180(274)149(227-8)87-25-56-118-211)110-48-78-140-248-185(279)162(255-192(286)153(231-12)91-29-60-122-215)100-38-68-130-240-176(270)145(223-4)83-21-52-114-207)104-42-73-139-251-187(281)164(258-198(292)167(261-194(288)155(233-14)93-31-62-124-217)105-43-74-132-242-178(272)147(225-6)85-23-54-116-209)102-40-71-137-246-183(277)160(253-190(284)151(229-10)89-27-58-120-213)98-36-66-128-238-174(268)143(221-2)81-19-50-112-205/h143-173,221-236H,18-142,205-220H2,1-17H3,(H,237,276)(H,238,268)(H,239,269)(H,240,270)(H,241,271)(H,242,272)(H,243,273)(H,244,274)(H,245,275)(H,246,277)(H,247,278)(H,248,279)(H,249,280)(H,250,283)(H,251,281)(H,252,282)(H,253,284)(H,254,285)(H,255,286)(H,256,287)(H,257,294)(H,258,292)(H,259,293)(H,260,295)(H,261,288)(H,262,289)(H,263,290)(H,264,291)(H,265,296)(H,266,298)(H,267,297)/t143-,144-,145-,146-,147-,148-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-,172-,173-/m0/s1.
What are the key properties of (2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide?
(2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide has a molecular weight of 4242.94 g/mol, XLogP of -7.84, 202 rotatable bonds, 63 hydrogen bond donors, and 63 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-6-amino-N-[(5S)-5-[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-[[(5S)-5-[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-2,6-bis[[(2S)-6-amino-2-(methylamino)hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]-6-(ethylamino)-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-(methylamino)hexanamide is sourced from PubChem (CID 167681648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).