2-[[(4S)-5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-4-[[4-[3-[2-[2-[2-[2-[3-[[4-[[5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]amino]-5-oxopentanoyl]-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate

C188H322N8O29 — CID 164754184

IUPAC2-[[(4S)-5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-4-[[4-[3-[2-[2-[2-[2-[3-[[4-[[5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]amino]-5-oxopentanoyl]-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate
SMILESCCC/C=C\C/C=C\CCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)CC[C@H](NC(=O)CCC(=O)NCCCOCCOCCOCCOCCOCCCNC(=O)CCC(=O)NC(CCC(=O)N(CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)N(CCOC(=O)CCCCCCC/C=C\C/C=C\CCC)CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)N(CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C188H322N8O29/c1-9-17-25-33-41-49-57-65-71-79-87-95-102-110-118-128-180(204)219-156-146-193(145-155-218-179(203)127-117-109-101-93-85-77-63-55-47-39-31-23-15-7)177(201)141-135-172(188(212)196(151-161-224-185(209)133-123-115-107-99-91-83-75-69-61-53-45-37-29-21-13-5)152-162-225-186(210)134-124-116-108-100-92-84-76-70-62-54-46-38-30-22-14-6)192-176(200)140-138-174(198)190-144-126-154-214-164-166-216-168-170-217-169-167-215-165-163-213-153-125-143-189-173(197)137-139-175(199)191-171(187(211)195(149-159-222-183(207)131-121-113-105-94-86-78-64-56-48-40-32-24-16-8)150-160-223-184(208)132-122-114-106-98-90-82-74-68-60-52-44-36-28-20-12-4)136-142-178(202)194(147-157-220-181(205)129-119-111-103-96-88-80-72-66-58-50-42-34-26-18-10-2)148-158-221-182(206)130-120-112-104-97-89-81-73-67-59-51-43-35-27-19-11-3/h31-32,39-46,49-56,63-76,171-172H,9-30,33-38,47-48,57-62,77-170H2,1-8H3,(H,189,197)(H,190,198)(H,191,199)(H,192,200)/b39-31-,40-32-,49-41-,50-42-,51-43-,52-44-,53-45-,54-46-,63-55-,64-56-,71-65-,72-66-,73-67-,74-68-,75-69-,76-70-/t171?,172-/m0/s1
InChIKeyVDBYLILZHMBQBC-PUGKHIDZSA-N
MW3158.67 g/mol
LogP42.78
Rot. Bonds168

About 2-[[(4S)-5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-4-[[4-[3-[2-[2-[2-[2-[3-[[4-[[5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]amino]-5-oxopentanoyl]-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate

2-[[(4S)-5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-4-[[4-[3-[2-[2-[2-[2-[3-[[4-[[5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]amino]-5-oxopentanoyl]-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate (PubChem CID 164754184) has the molecular formula C188H322N8O29 and a molecular weight of 3158.67 g/mol. Its IUPAC name is 2-[[(4S)-5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-4-[[4-[3-[2-[2-[2-[2-[3-[[4-[[5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]amino]-5-oxopentanoyl]-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate.

Molecular Properties

Compound Name2-[[(4S)-5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-4-[[4-[3-[2-[2-[2-[2-[3-[[4-[[5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]amino]-5-oxopentanoyl]-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate
PubChem CID164754184
Molecular FormulaC188H322N8O29
Molecular Weight3158.67 g/mol
Exact Mass3156.40
IUPAC Name2-[[(4S)-5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-4-[[4-[3-[2-[2-[2-[2-[3-[[4-[[5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]amino]-5-oxopentanoyl]-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate
SMILESCCC/C=C\C/C=C\CCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)CC[C@H](NC(=O)CCC(=O)NCCCOCCOCCOCCOCCOCCCNC(=O)CCC(=O)NC(CCC(=O)N(CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)N(CCOC(=O)CCCCCCC/C=C\C/C=C\CCC)CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)N(CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C188H322N8O29/c1-9-17-25-33-41-49-57-65-71-79-87-95-102-110-118-128-180(204)219-156-146-193(145-155-218-179(203)127-117-109-101-93-85-77-63-55-47-39-31-23-15-7)177(201)141-135-172(188(212)196(151-161-224-185(209)133-123-115-107-99-91-83-75-69-61-53-45-37-29-21-13-5)152-162-225-186(210)134-124-116-108-100-92-84-76-70-62-54-46-38-30-22-14-6)192-176(200)140-138-174(198)190-144-126-154-214-164-166-216-168-170-217-169-167-215-165-163-213-153-125-143-189-173(197)137-139-175(199)191-171(187(211)195(149-159-222-183(207)131-121-113-105-94-86-78-64-56-48-40-32-24-16-8)150-160-223-184(208)132-122-114-106-98-90-82-74-68-60-52-44-36-28-20-12-4)136-142-178(202)194(147-157-220-181(205)129-119-111-103-96-88-80-72-66-58-50-42-34-26-18-10-2)148-158-221-182(206)130-120-112-104-97-89-81-73-67-59-51-43-35-27-19-11-3/h31-32,39-46,49-56,63-76,171-172H,9-30,33-38,47-48,57-62,77-170H2,1-8H3,(H,189,197)(H,190,198)(H,191,199)(H,192,200)/b39-31-,40-32-,49-41-,50-42-,51-43-,52-44-,53-45-,54-46-,63-55-,64-56-,71-65-,72-66-,73-67-,74-68-,75-69-,76-70-/t171?,172-/m0/s1
InChIKeyVDBYLILZHMBQBC-PUGKHIDZSA-N
XLogP42.78
TPSA454.19 Ų
H-Bond Donors4
H-Bond Acceptors29
Rotatable Bonds168
Heavy Atoms225
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003158.67
LogP ≤ 542.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[[(4S)-5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-4-[[4-[3-[2-[2-[2-[2-[3-[[4-[[5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]amino]-5-oxopentanoyl]-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate with MolForge

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Launch Full Analysis

Related Compounds

2-[[4-[[(2S)-6-acetamido-1-oxo-1-[3-(2-propoxyethoxy)propylamino]hexan-2-yl]amino]-4-oxobutanoyl]-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate
CID 167041424
2-[[(6R)-6-[3-[2-[2-[2-[2-[(6S)-6,10-bis[[4-[bis[2-[(Z)-octadec-9-enoyl]oxyethyl]amino]-4-oxobutanoyl]amino]-5-oxodecoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylcarbamoyl]-10-[[4-[bis[2-[(Z)-octadec-9-enoyl]oxyethyl]amino]-4-oxobutanoyl]amino]-4-oxodecanoyl]-[2-[(Z)-octadec-9-enoyl]oxyethyl]amino]ethyl (Z)-octadec-9-enoate
CID 167637021
2-[[4-[[(5S)-5-[[4-[bis(2-tetradecanoyloxyethyl)amino]-4-oxobutanoyl]amino]-6-[3-(2-ethoxyethoxy)propylamino]-6-oxohexyl]amino]-4-oxobutanoyl]-(2-tetradecanoyloxyethyl)amino]ethyl tetradecanoate
CID 164754179
2-[[(6R)-10-acetamido-6-[3-[2-[2-[2-[2-[3-[[(2S)-6-acetamido-2-(4-oxopentanoylamino)hexanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylcarbamoyl]-4-oxodecanoyl]-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate
CID 167561842
2-[[4-[[(5S)-5-[[4-[bis(2-tetradecanoyloxyethyl)amino]-4-oxobutanoyl]amino]-6-[3-[2-[2-[3-[3-(2-ethoxyethoxy)propanoylamino]propoxy]ethoxy]ethoxy]propylamino]-6-oxohexyl]amino]-4-oxobutanoyl]-(2-tetradecanoyloxyethyl)amino]ethyl tetradecanoate
CID 164754198
2-[6-aminohexanoyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate
CID 88888759
[(2S)-3-[(7Z,10Z)-hexadeca-7,10-dienoxy]-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]-3-oxopropyl] 10-[[4-[(2S)-3-[(9Z,12Z)-octadeca-9,12-dienoxy]-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]-3-oxopropoxy]-4-oxobutanoyl]amino]-11-[3-[2-[2-[2-[2-[3-[[6-[[4-[(2R)-3-[(9Z,12Z)-octadeca-9,12-dienoxy]-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]-3-oxopropoxy]-4-oxobutanoyl]amino]-2-[[4-[3-[(9Z,12Z)-octadeca-9,12-dienoxy]-2-[[(9Z,12Z)-octadeca-9,12-dienoyl]amino]-3-oxopropoxy]-4-oxobutanoyl]amino]hexanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4,11-dioxoundecanoate
CID 167579410
2-[[(7R)-7-[3-[2-[2-[3-[3-[2-[2-[2-[2-[7-[2-[2-[(6S)-6,10-bis[[5-[bis(2-hexadecanoyloxyethyl)amino]-5-oxopentanoyl]amino]-5-oxodecoxy]ethoxy]ethoxy]-3-oxoheptoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]propoxy]ethoxy]ethoxy]propylcarbamoyl]-11-[[5-[bis(2-hexadecanoyloxyethyl)amino]-5-oxopentanoyl]amino]-5-oxoundecanoyl]-(2-hexadecanoyloxyethyl)amino]ethyl hexadecanoate
CID 167681031
2-[docosanoyl-(2-hydroxy-3-octadecoxypropyl)amino]ethyl (9E,12E)-octadeca-9,12-dienoate
CID 10197443
2-[4-(dimethylamino)butanoyl-[2-[(8E,10E)-hexadeca-8,10-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate
CID 155015588
18-[[4-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-1-carboxy-4-oxobutyl]amino]-18-oxooctadecanoic acid;N-[5-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-5-oxopentyl]dodecanamide;N-[5-[bis[2-[2-(3-oxobutoxy)ethoxy]ethyl]amino]-5-oxopentyl]octadecanamide;methane
CID 158439737
2-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate
CID 14390041

Frequently Asked Questions

What is the IUPAC name of 2-[[(4S)-5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-4-[[4-[3-[2-[2-[2-[2-[3-[[4-[[5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]amino]-5-oxopentanoyl]-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate?
The IUPAC name of 2-[[(4S)-5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-4-[[4-[3-[2-[2-[2-[2-[3-[[4-[[5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]amino]-5-oxopentanoyl]-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate (CID 164754184) is 2-[[(4S)-5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-4-[[4-[3-[2-[2-[2-[2-[3-[[4-[[5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]amino]-5-oxopentanoyl]-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate.
What is the SMILES notation for 2-[[(4S)-5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-4-[[4-[3-[2-[2-[2-[2-[3-[[4-[[5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]amino]-5-oxopentanoyl]-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate?
The canonical SMILES for 2-[[(4S)-5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-4-[[4-[3-[2-[2-[2-[2-[3-[[4-[[5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]amino]-5-oxopentanoyl]-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate is CCC/C=C\C/C=C\CCCCCCCC(=O)OCCN(CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)CC[C@H](NC(=O)CCC(=O)NCCCOCCOCCOCCOCCOCCCNC(=O)CCC(=O)NC(CCC(=O)N(CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)N(CCOC(=O)CCCCCCC/C=C\C/C=C\CCC)CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)C(=O)N(CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC)CCOC(=O)CCCCCCC/C=C\C/C=C\CCCCC.
What is the InChIKey of 2-[[(4S)-5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-4-[[4-[3-[2-[2-[2-[2-[3-[[4-[[5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]amino]-5-oxopentanoyl]-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate?
The InChIKey is VDBYLILZHMBQBC-PUGKHIDZSA-N. The full InChI is InChI=1S/C188H322N8O29/c1-9-17-25-33-41-49-57-65-71-79-87-95-102-110-118-128-180(204)219-156-146-193(145-155-218-179(203)127-117-109-101-93-85-77-63-55-47-39-31-23-15-7)177(201)141-135-172(188(212)196(151-161-224-185(209)133-123-115-107-99-91-83-75-69-61-53-45-37-29-21-13-5)152-162-225-186(210)134-124-116-108-100-92-84-76-70-62-54-46-38-30-22-14-6)192-176(200)140-138-174(198)190-144-126-154-214-164-166-216-168-170-217-169-167-215-165-163-213-153-125-143-189-173(197)137-139-175(199)191-171(187(211)195(149-159-222-183(207)131-121-113-105-94-86-78-64-56-48-40-32-24-16-8)150-160-223-184(208)132-122-114-106-98-90-82-74-68-60-52-44-36-28-20-12-4)136-142-178(202)194(147-157-220-181(205)129-119-111-103-96-88-80-72-66-58-50-42-34-26-18-10-2)148-158-221-182(206)130-120-112-104-97-89-81-73-67-59-51-43-35-27-19-11-3/h31-32,39-46,49-56,63-76,171-172H,9-30,33-38,47-48,57-62,77-170H2,1-8H3,(H,189,197)(H,190,198)(H,191,199)(H,192,200)/b39-31-,40-32-,49-41-,50-42-,51-43-,52-44-,53-45-,54-46-,63-55-,64-56-,71-65-,72-66-,73-67-,74-68-,75-69-,76-70-/t171?,172-/m0/s1.
What are the key properties of 2-[[(4S)-5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-4-[[4-[3-[2-[2-[2-[2-[3-[[4-[[5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]amino]-5-oxopentanoyl]-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate?
2-[[(4S)-5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-4-[[4-[3-[2-[2-[2-[2-[3-[[4-[[5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]amino]-5-oxopentanoyl]-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate has a molecular weight of 3158.67 g/mol, XLogP of 42.78, 168 rotatable bonds, 4 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4S)-5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-4-[[4-[3-[2-[2-[2-[2-[3-[[4-[[5-[bis[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl-[2-[(9Z,12Z)-octadeca-9,12-dienoyl]oxyethyl]amino]-1,5-dioxopentan-2-yl]amino]-4-oxobutanoyl]amino]propoxy]ethoxy]ethoxy]ethoxy]ethoxy]propylamino]-4-oxobutanoyl]amino]-5-oxopentanoyl]-[2-[(9Z,12Z)-hexadeca-9,12-dienoyl]oxyethyl]amino]ethyl (9Z,12Z)-octadeca-9,12-dienoate is sourced from PubChem (CID 164754184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).