3-[[6-[2-[[3-[2-[bis[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[6-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(6-hydroxy-3-oxohexyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-4-oxohexyl]-[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyl]propanamide

C146H276N38O44 — CID 162029133

IUPAC3-[[6-[2-[[3-[2-[bis[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[6-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(6-hydroxy-3-oxohexyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-4-oxohexyl]-[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyl]propanamide
SMILESO=C(CCCN(CCC(=O)NCCO)CCC(=O)NCCO)CCN(CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCO)CCC(=O)NCCO)CCC(=O)NCCN(CCC(=O)NCCO)CCC(=O)NCCO)CCN(CCC(=O)CCCN(CCC(=O)NCCN(CCC(=O)NCCO)CCC(=O)NCCO)CCC(=O)NCCN(CCC(=O)NCCO)CCC(=O)NCCO)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)CCCO)CCC(=O)NCCO)CCC(=O)NCCN(CCC(=O)NCCO)CCC(=O)NCCO)CCC(=O)CCCN(CCC(=O)NCCO)CCC(=O)NCCO
InChIInChI=1S/C146H276N38O44/c185-103-4-8-122(204)11-66-175(74-23-136(218)160-50-108-190)93-38-148-125(207)19-75-176(76-20-126(208)151-41-98-180(83-28-141(223)165-55-113-195)84-29-142(224)166-56-114-196)94-44-154-129(211)34-89-183(67-12-121(203)7-3-61-171(68-13-123(205)149-39-96-178(79-24-137(219)161-51-109-191)80-25-138(220)162-52-110-192)69-14-124(206)150-40-97-179(81-26-139(221)163-53-111-193)82-27-140(222)164-54-112-194)101-102-184(90-35-130(212)147-37-92-174(64-9-119(201)5-1-62-172(70-15-132(214)156-46-104-186)71-16-133(215)157-47-105-187)65-10-120(202)6-2-63-173(72-17-134(216)158-48-106-188)73-18-135(217)159-49-107-189)91-36-131(213)155-45-95-177(77-21-127(209)152-42-99-181(85-30-143(225)167-57-115-197)86-31-144(226)168-58-116-198)78-22-128(210)153-43-100-182(87-32-145(227)169-59-117-199)88-33-146(228)170-60-118-200/h185-200H,1-118H2,(H,147,212)(H,148,207)(H,149,205)(H,150,206)(H,151,208)(H,152,209)(H,153,210)(H,154,211)(H,155,213)(H,156,214)(H,157,215)(H,158,216)(H,159,217)(H,160,218)(H,161,219)(H,162,220)(H,163,221)(H,164,222)(H,165,223)(H,166,224)(H,167,225)(H,168,226)(H,169,227)(H,170,228)
InChIKeyOAPCPWOEXWOPFB-UHFFFAOYSA-N
MW3268.04 g/mol
LogP-19.80
Rot. Bonds159

About 3-[[6-[2-[[3-[2-[bis[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[6-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(6-hydroxy-3-oxohexyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-4-oxohexyl]-[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyl]propanamide

3-[[6-[2-[[3-[2-[bis[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[6-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(6-hydroxy-3-oxohexyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-4-oxohexyl]-[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyl]propanamide (PubChem CID 162029133) has the molecular formula C146H276N38O44 and a molecular weight of 3268.04 g/mol. Its IUPAC name is 3-[[6-[2-[[3-[2-[bis[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[6-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(6-hydroxy-3-oxohexyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-4-oxohexyl]-[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyl]propanamide.

Molecular Properties

Compound Name3-[[6-[2-[[3-[2-[bis[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[6-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(6-hydroxy-3-oxohexyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-4-oxohexyl]-[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyl]propanamide
PubChem CID162029133
Molecular FormulaC146H276N38O44
Molecular Weight3268.04 g/mol
Exact Mass3266.05
IUPAC Name3-[[6-[2-[[3-[2-[bis[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[6-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(6-hydroxy-3-oxohexyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-4-oxohexyl]-[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyl]propanamide
SMILESO=C(CCCN(CCC(=O)NCCO)CCC(=O)NCCO)CCN(CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCO)CCC(=O)NCCO)CCC(=O)NCCN(CCC(=O)NCCO)CCC(=O)NCCO)CCN(CCC(=O)CCCN(CCC(=O)NCCN(CCC(=O)NCCO)CCC(=O)NCCO)CCC(=O)NCCN(CCC(=O)NCCO)CCC(=O)NCCO)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)CCCO)CCC(=O)NCCO)CCC(=O)NCCN(CCC(=O)NCCO)CCC(=O)NCCO)CCC(=O)CCCN(CCC(=O)NCCO)CCC(=O)NCCO
InChIInChI=1S/C146H276N38O44/c185-103-4-8-122(204)11-66-175(74-23-136(218)160-50-108-190)93-38-148-125(207)19-75-176(76-20-126(208)151-41-98-180(83-28-141(223)165-55-113-195)84-29-142(224)166-56-114-196)94-44-154-129(211)34-89-183(67-12-121(203)7-3-61-171(68-13-123(205)149-39-96-178(79-24-137(219)161-51-109-191)80-25-138(220)162-52-110-192)69-14-124(206)150-40-97-179(81-26-139(221)163-53-111-193)82-27-140(222)164-54-112-194)101-102-184(90-35-130(212)147-37-92-174(64-9-119(201)5-1-62-172(70-15-132(214)156-46-104-186)71-16-133(215)157-47-105-187)65-10-120(202)6-2-63-173(72-17-134(216)158-48-106-188)73-18-135(217)159-49-107-189)91-36-131(213)155-45-95-177(77-21-127(209)152-42-99-181(85-30-143(225)167-57-115-197)86-31-144(226)168-58-116-198)78-22-128(210)153-43-100-182(87-32-145(227)169-59-117-199)88-33-146(228)170-60-118-200/h185-200H,1-118H2,(H,147,212)(H,148,207)(H,149,205)(H,150,206)(H,151,208)(H,152,209)(H,153,210)(H,154,211)(H,155,213)(H,156,214)(H,157,215)(H,158,216)(H,159,217)(H,160,218)(H,161,219)(H,162,220)(H,163,221)(H,164,222)(H,165,223)(H,166,224)(H,167,225)(H,168,226)(H,169,227)(H,170,228)
InChIKeyOAPCPWOEXWOPFB-UHFFFAOYSA-N
XLogP-19.80
TPSA1135.72 Ų
H-Bond Donors40
H-Bond Acceptors58
Rotatable Bonds159
Heavy Atoms228
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003268.04
LogP ≤ 5-19.80
H-Bond Donors ≤ 540
H-Bond Acceptors ≤ 1058

Analyze 3-[[6-[2-[[3-[2-[bis[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[6-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(6-hydroxy-3-oxohexyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-4-oxohexyl]-[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyl]propanamide with MolForge

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Related Compounds

3-[bis[3-[bis[6-(diethylamino)-3-oxohexyl]amino]propyl]amino]-N-[2-(diethylamino)ethyl]propanamide
CID 165064161
N-[2-[[3-[2-[[3-[2-[[3-[2-[[3-(2-aminoethylamino)-3-oxopropyl]-(6-amino-3-oxohexyl)amino]ethylamino]-3-oxopropyl]-[6-[[3-(2-aminoethylamino)-3-oxopropyl]-(6-amino-3-oxohexyl)amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[3-[2-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethyl]butanamide
CID 58409277
N-[2-[bis(3-oxo-5-sulfanylpentyl)amino]ethyl]-3-[[3-[2-[bis(3-oxo-5-sulfanylpentyl)amino]ethylamino]-3-oxopropyl]-(3-trihydroxysilylpropyl)amino]propanamide
CID 58383076
N-(2-aminoethyl)-4-[2-[[4-(2-aminoethylamino)-4-oxobutyl]-[3-(2-aminoethylamino)-3-oxopropyl]amino]ethyl-[3-(2-aminoethylamino)-3-oxopropyl]amino]butanamide
CID 163628502
3-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-(3-oxohexadecyl)amino]ethyl-(6-oxononadecyl)amino]-N-dodecylpropanamide
CID 58498189
N-[2-[[3-[2-[[3-[2-[[3-(2-aminoethylamino)-3-oxopropyl]-(6-amino-3-oxohexyl)amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[3-[2-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethyl]butanamide
CID 58409285
3-[2-[2-[2-[bis(3-oxohexadecyl)amino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]ethylamino]ethyl-[3-(dodecylamino)-3-oxopropyl]amino]-N-dodecylpropanamide
CID 159136104
3-[2-[2-[2-[bis[3-(dodecylamino)-3-oxopropyl]amino]ethyl-(3-oxohexadecyl)amino]ethylamino]ethyl-(3-oxohexadecyl)amino]-N-dodecylpropanamide
CID 158384217
3-[2-[bis(3-oxohexadecyl)amino]ethyl-propylamino]-N-dodecylpropanamide
CID 158009319
3-[3-[bis[3-[bis[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]propyl]amino]propyl-[3-[2-(dimethylamino)ethylamino]-3-oxopropyl]amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 167166577
3-[4-hydroxybutyl-[3-oxo-3-(tetradecylamino)propyl]amino]-N-tetradecylpropanamide
CID 58105445
N-(2-aminoethyl)-3-[[3-(2-aminoethylamino)-3-oxopropyl]-[3-[3-[bis[3-(2-aminoethylamino)-3-oxopropyl]amino]propylamino]propyl]amino]propanamide
CID 10579255

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[2-[[3-[2-[bis[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[6-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(6-hydroxy-3-oxohexyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-4-oxohexyl]-[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyl]propanamide?
The IUPAC name of 3-[[6-[2-[[3-[2-[bis[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[6-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(6-hydroxy-3-oxohexyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-4-oxohexyl]-[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyl]propanamide (CID 162029133) is 3-[[6-[2-[[3-[2-[bis[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[6-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(6-hydroxy-3-oxohexyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-4-oxohexyl]-[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyl]propanamide.
What is the SMILES notation for 3-[[6-[2-[[3-[2-[bis[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[6-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(6-hydroxy-3-oxohexyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-4-oxohexyl]-[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyl]propanamide?
The canonical SMILES for 3-[[6-[2-[[3-[2-[bis[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[6-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(6-hydroxy-3-oxohexyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-4-oxohexyl]-[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyl]propanamide is O=C(CCCN(CCC(=O)NCCO)CCC(=O)NCCO)CCN(CCNC(=O)CCN(CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)NCCO)CCC(=O)NCCO)CCC(=O)NCCN(CCC(=O)NCCO)CCC(=O)NCCO)CCN(CCC(=O)CCCN(CCC(=O)NCCN(CCC(=O)NCCO)CCC(=O)NCCO)CCC(=O)NCCN(CCC(=O)NCCO)CCC(=O)NCCO)CCC(=O)NCCN(CCC(=O)NCCN(CCC(=O)CCCO)CCC(=O)NCCO)CCC(=O)NCCN(CCC(=O)NCCO)CCC(=O)NCCO)CCC(=O)CCCN(CCC(=O)NCCO)CCC(=O)NCCO.
What is the InChIKey of 3-[[6-[2-[[3-[2-[bis[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[6-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(6-hydroxy-3-oxohexyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-4-oxohexyl]-[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyl]propanamide?
The InChIKey is OAPCPWOEXWOPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C146H276N38O44/c185-103-4-8-122(204)11-66-175(74-23-136(218)160-50-108-190)93-38-148-125(207)19-75-176(76-20-126(208)151-41-98-180(83-28-141(223)165-55-113-195)84-29-142(224)166-56-114-196)94-44-154-129(211)34-89-183(67-12-121(203)7-3-61-171(68-13-123(205)149-39-96-178(79-24-137(219)161-51-109-191)80-25-138(220)162-52-110-192)69-14-124(206)150-40-97-179(81-26-139(221)163-53-111-193)82-27-140(222)164-54-112-194)101-102-184(90-35-130(212)147-37-92-174(64-9-119(201)5-1-62-172(70-15-132(214)156-46-104-186)71-16-133(215)157-47-105-187)65-10-120(202)6-2-63-173(72-17-134(216)158-48-106-188)73-18-135(217)159-49-107-189)91-36-131(213)155-45-95-177(77-21-127(209)152-42-99-181(85-30-143(225)167-57-115-197)86-31-144(226)168-58-116-198)78-22-128(210)153-43-100-182(87-32-145(227)169-59-117-199)88-33-146(228)170-60-118-200/h185-200H,1-118H2,(H,147,212)(H,148,207)(H,149,205)(H,150,206)(H,151,208)(H,152,209)(H,153,210)(H,154,211)(H,155,213)(H,156,214)(H,157,215)(H,158,216)(H,159,217)(H,160,218)(H,161,219)(H,162,220)(H,163,221)(H,164,222)(H,165,223)(H,166,224)(H,167,225)(H,168,226)(H,169,227)(H,170,228).
What are the key properties of 3-[[6-[2-[[3-[2-[bis[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[6-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(6-hydroxy-3-oxohexyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-4-oxohexyl]-[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyl]propanamide?
3-[[6-[2-[[3-[2-[bis[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[6-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(6-hydroxy-3-oxohexyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-4-oxohexyl]-[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyl]propanamide has a molecular weight of 3268.04 g/mol, XLogP of -19.80, 159 rotatable bonds, 40 hydrogen bond donors, and 58 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[2-[[3-[2-[bis[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[bis[6-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]-3-oxohexyl]amino]ethylamino]-3-oxopropyl]amino]ethyl-[3-[2-[[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]-[3-[2-[[3-(2-hydroxyethylamino)-3-oxopropyl]-(6-hydroxy-3-oxohexyl)amino]ethylamino]-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-4-oxohexyl]-[3-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethylamino]-3-oxopropyl]amino]-N-[2-[bis[3-(2-hydroxyethylamino)-3-oxopropyl]amino]ethyl]propanamide is sourced from PubChem (CID 162029133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).