3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;3-O,17-O-ditert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (3R)-5-oxoheptadecane-1,3,17-tricarboxylate;(4R)-19-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,19-dioxononadecanoic acid;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tetradecanedioic acid

C198H368N4O72 — CID 160596635

IUPAC3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;3-O,17-O-ditert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (3R)-5-oxoheptadecane-1,3,17-tricarboxylate;(4R)-19-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,19-dioxononadecanoic acid;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tetradecanedioic acid
SMILESCC(C)(C)OC(=O)CCCCCCCCCCCCC(=O)CC(CCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)CCCCCCCCCCCCC(=O)C[C@@H](CCC(=O)O)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)CCCCCCCCCCCCC(=O)O.CC(C)(C)OC(=O)CCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.CC(C)(C)OC(=O)[C@@H](N)CCC(=O)O.NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O.O=C(O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C75H151NO38.C32H53NO9.C28H50O7.C22H37NO6.C18H34O4.C14H26O4.C9H17NO4/c76-2-4-80-6-8-82-10-12-84-14-16-86-18-20-88-22-24-90-26-28-92-30-32-94-34-36-96-38-40-98-42-44-100-46-48-102-50-52-104-54-56-106-58-60-108-62-64-110-66-68-112-70-72-114-74-73-113-71-69-111-67-65-109-63-61-107-59-57-105-55-53-103-51-49-101-47-45-99-43-41-97-39-37-95-35-33-93-31-29-91-27-25-89-23-21-87-19-17-85-15-13-83-11-9-81-7-5-79-3-1-75(77)78;1-31(2,3)40-28(37)18-16-14-12-10-8-7-9-11-13-15-17-25(34)23-24(30(39)41-32(4,5)6)19-22-29(38)42-33-26(35)20-21-27(33)36;1-27(2,3)34-25(32)18-16-14-12-10-8-7-9-11-13-15-17-23(29)21-22(19-20-24(30)31)26(33)35-28(4,5)6;1-22(2,3)28-20(26)14-12-10-8-6-4-5-7-9-11-13-15-21(27)29-23-18(24)16-17-19(23)25;1-18(2,3)22-17(21)15-13-11-9-7-5-4-6-8-10-12-14-16(19)20;15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18;1-9(2,3)14-8(13)6(10)4-5-7(11)12/h1-74,76H2,(H,77,78);24H,7-23H2,1-6H3;22H,7-21H2,1-6H3,(H,30,31);4-17H2,1-3H3;4-15H2,1-3H3,(H,19,20);1-12H2,(H,15,16)(H,17,18);6H,4-5,10H2,1-3H3,(H,11,12)/t;;22-;;;;6-/m..1...0/s1
InChIKeyRDSKOJFHLFJBKN-NQZRWXFKSA-N
MW3957.08 g/mol
LogP27.19
Rot. Bonds193

About 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;3-O,17-O-ditert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (3R)-5-oxoheptadecane-1,3,17-tricarboxylate;(4R)-19-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,19-dioxononadecanoic acid;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tetradecanedioic acid

3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;3-O,17-O-ditert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (3R)-5-oxoheptadecane-1,3,17-tricarboxylate;(4R)-19-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,19-dioxononadecanoic acid;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tetradecanedioic acid (PubChem CID 160596635) has the molecular formula C198H368N4O72 and a molecular weight of 3957.08 g/mol. Its IUPAC name is 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;3-O,17-O-ditert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (3R)-5-oxoheptadecane-1,3,17-tricarboxylate;(4R)-19-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,19-dioxononadecanoic acid;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tetradecanedioic acid.

Molecular Properties

Compound Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;3-O,17-O-ditert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (3R)-5-oxoheptadecane-1,3,17-tricarboxylate;(4R)-19-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,19-dioxononadecanoic acid;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tetradecanedioic acid
PubChem CID160596635
Molecular FormulaC198H368N4O72
Molecular Weight3957.08 g/mol
Exact Mass3954.53
IUPAC Name3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;3-O,17-O-ditert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (3R)-5-oxoheptadecane-1,3,17-tricarboxylate;(4R)-19-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,19-dioxononadecanoic acid;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tetradecanedioic acid
SMILESCC(C)(C)OC(=O)CCCCCCCCCCCCC(=O)CC(CCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)CCCCCCCCCCCCC(=O)C[C@@H](CCC(=O)O)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)CCCCCCCCCCCCC(=O)O.CC(C)(C)OC(=O)CCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.CC(C)(C)OC(=O)[C@@H](N)CCC(=O)O.NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O.O=C(O)CCCCCCCCCCCCC(=O)O
InChIInChI=1S/C75H151NO38.C32H53NO9.C28H50O7.C22H37NO6.C18H34O4.C14H26O4.C9H17NO4/c76-2-4-80-6-8-82-10-12-84-14-16-86-18-20-88-22-24-90-26-28-92-30-32-94-34-36-96-38-40-98-42-44-100-46-48-102-50-52-104-54-56-106-58-60-108-62-64-110-66-68-112-70-72-114-74-73-113-71-69-111-67-65-109-63-61-107-59-57-105-55-53-103-51-49-101-47-45-99-43-41-97-39-37-95-35-33-93-31-29-91-27-25-89-23-21-87-19-17-85-15-13-83-11-9-81-7-5-79-3-1-75(77)78;1-31(2,3)40-28(37)18-16-14-12-10-8-7-9-11-13-15-17-25(34)23-24(30(39)41-32(4,5)6)19-22-29(38)42-33-26(35)20-21-27(33)36;1-27(2,3)34-25(32)18-16-14-12-10-8-7-9-11-13-15-17-23(29)21-22(19-20-24(30)31)26(33)35-28(4,5)6;1-22(2,3)28-20(26)14-12-10-8-6-4-5-7-9-11-13-15-21(27)29-23-18(24)16-17-19(23)25;1-18(2,3)22-17(21)15-13-11-9-7-5-4-6-8-10-12-14-16(19)20;15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18;1-9(2,3)14-8(13)6(10)4-5-7(11)12/h1-74,76H2,(H,77,78);24H,7-23H2,1-6H3;22H,7-21H2,1-6H3,(H,30,31);4-17H2,1-3H3;4-15H2,1-3H3,(H,19,20);1-12H2,(H,15,16)(H,17,18);6H,4-5,10H2,1-3H3,(H,11,12)/t;;22-;;;;6-/m..1...0/s1
InChIKeyRDSKOJFHLFJBKN-NQZRWXFKSA-N
XLogP27.19
TPSA953.72 Ų
H-Bond Donors8
H-Bond Acceptors68
Rotatable Bonds193
Heavy Atoms274
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003957.08
LogP ≤ 527.19
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1068

Computed Properties (RDKit)

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

Analyze 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;3-O,17-O-ditert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (3R)-5-oxoheptadecane-1,3,17-tricarboxylate;(4R)-19-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,19-dioxononadecanoic acid;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tetradecanedioic acid 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

(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;1-O-tert-butyl 18-O-(2,5-dioxopyrrolidin-1-yl) octadecanedioate;N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine;1-hydroxypyrrolidine-2,5-dione;(4R)-23-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,23-dioxotricosanoic acid;18-[(2-methylpropan-2-yl)oxy]-18-oxooctadecanoic acid;octadecanedioic acid
CID 157285567
(4S)-4-amino-5-oxohexanoic acid;2-[2-[2-[2-[[(4R)-4-carboxy-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino-iminoazanium;(2,5-dioxopyrrolidin-1-yl) hexadecanoate;hexadecanoic acid;imino-[2-[2-[2-[2-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino]azanium;(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoic acid
CID 158555440
ditert-butyl (2R)-2-[3-[2-[2-[5-[2-[2-(2,5-dioxopyrrolidin-1-yl)oxy-2-oxoethoxy]ethoxy]-2-oxopentoxy]ethoxy]ethylamino]-3-oxopropyl]-4-oxotricosanedioate
CID 58249289
1-O-tert-butyl 19-O-(2,5-dioxopyrrolidin-1-yl) nonadecanedioate
CID 133081009
1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate
CID 87253097
12-aminododecanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;dichloromethane;1-hydroxypyrrolidine-2,5-dione;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tritium monohydride
CID 162160619
(2,5-dioxopyrrolidin-1-yl) 3-[2-(2-aminoethoxy)ethoxy]propanoate;ethane
CID 178089902
tert-butyl 18-[[(2S)-6-[3-[2-(2-aminoethoxy)ethoxy]propanoylamino]-1-[(2-methylpropan-2-yl)oxy]-1-oxohexan-2-yl]amino]-18-oxooctadecanoate;tert-butyl 18-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-[3-[2-[2-[3-[2-[2-[3-(2-propoxyethoxy)propanoylamino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]hexan-2-yl]amino]-18-oxooctadecanoate;tert-butyl 18-[[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxo-6-[3-(2-propoxyethoxy)propanoylamino]hexan-2-yl]amino]-18-oxooctadecanoate;bis((2,5-dioxopyrrolidin-1-yl) 3-(2-propoxyethoxy)propanoate)
CID 167679269
1-O-tert-butyl 5-O-(2,5-dioxopyrrolidin-1-yl) (2S)-2-[[8-[4-[3-[[8-[(2-methylpropan-2-yl)oxy]-8-oxooctanoyl]amino]propoxy]butoxy]-4-oxooctanoyl]amino]pentanedioate
CID 149134231
(4R)-4-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxohenicosanoic acid
CID 158555441
(3S)-22-[(2-methylpropan-2-yl)oxy]-3-[(2-methylpropan-2-yl)oxycarbonyl]-5,22-dioxodocosanoic acid
CID 158336226
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-(2,5-dioxopyrrolidin-1-yl)oxy-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 77078181

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;3-O,17-O-ditert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (3R)-5-oxoheptadecane-1,3,17-tricarboxylate;(4R)-19-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,19-dioxononadecanoic acid;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tetradecanedioic acid?
The IUPAC name of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;3-O,17-O-ditert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (3R)-5-oxoheptadecane-1,3,17-tricarboxylate;(4R)-19-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,19-dioxononadecanoic acid;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tetradecanedioic acid (CID 160596635) is 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;3-O,17-O-ditert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (3R)-5-oxoheptadecane-1,3,17-tricarboxylate;(4R)-19-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,19-dioxononadecanoic acid;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tetradecanedioic acid.
What is the SMILES notation for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;3-O,17-O-ditert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (3R)-5-oxoheptadecane-1,3,17-tricarboxylate;(4R)-19-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,19-dioxononadecanoic acid;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tetradecanedioic acid?
The canonical SMILES for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;3-O,17-O-ditert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (3R)-5-oxoheptadecane-1,3,17-tricarboxylate;(4R)-19-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,19-dioxononadecanoic acid;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tetradecanedioic acid is CC(C)(C)OC(=O)CCCCCCCCCCCCC(=O)CC(CCC(=O)ON1C(=O)CCC1=O)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)CCCCCCCCCCCCC(=O)C[C@@H](CCC(=O)O)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)CCCCCCCCCCCCC(=O)O.CC(C)(C)OC(=O)CCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.CC(C)(C)OC(=O)[C@@H](N)CCC(=O)O.NCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCC(=O)O.O=C(O)CCCCCCCCCCCCC(=O)O.
What is the InChIKey of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;3-O,17-O-ditert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (3R)-5-oxoheptadecane-1,3,17-tricarboxylate;(4R)-19-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,19-dioxononadecanoic acid;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tetradecanedioic acid?
The InChIKey is RDSKOJFHLFJBKN-NQZRWXFKSA-N. The full InChI is InChI=1S/C75H151NO38.C32H53NO9.C28H50O7.C22H37NO6.C18H34O4.C14H26O4.C9H17NO4/c76-2-4-80-6-8-82-10-12-84-14-16-86-18-20-88-22-24-90-26-28-92-30-32-94-34-36-96-38-40-98-42-44-100-46-48-102-50-52-104-54-56-106-58-60-108-62-64-110-66-68-112-70-72-114-74-73-113-71-69-111-67-65-109-63-61-107-59-57-105-55-53-103-51-49-101-47-45-99-43-41-97-39-37-95-35-33-93-31-29-91-27-25-89-23-21-87-19-17-85-15-13-83-11-9-81-7-5-79-3-1-75(77)78;1-31(2,3)40-28(37)18-16-14-12-10-8-7-9-11-13-15-17-25(34)23-24(30(39)41-32(4,5)6)19-22-29(38)42-33-26(35)20-21-27(33)36;1-27(2,3)34-25(32)18-16-14-12-10-8-7-9-11-13-15-17-23(29)21-22(19-20-24(30)31)26(33)35-28(4,5)6;1-22(2,3)28-20(26)14-12-10-8-6-4-5-7-9-11-13-15-21(27)29-23-18(24)16-17-19(23)25;1-18(2,3)22-17(21)15-13-11-9-7-5-4-6-8-10-12-14-16(19)20;15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18;1-9(2,3)14-8(13)6(10)4-5-7(11)12/h1-74,76H2,(H,77,78);24H,7-23H2,1-6H3;22H,7-21H2,1-6H3,(H,30,31);4-17H2,1-3H3;4-15H2,1-3H3,(H,19,20);1-12H2,(H,15,16)(H,17,18);6H,4-5,10H2,1-3H3,(H,11,12)/t;;22-;;;;6-/m..1...0/s1.
What are the key properties of 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;3-O,17-O-ditert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (3R)-5-oxoheptadecane-1,3,17-tricarboxylate;(4R)-19-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,19-dioxononadecanoic acid;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tetradecanedioic acid?
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;3-O,17-O-ditert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (3R)-5-oxoheptadecane-1,3,17-tricarboxylate;(4R)-19-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,19-dioxononadecanoic acid;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tetradecanedioic acid has a molecular weight of 3957.08 g/mol, XLogP of 27.19, 193 rotatable bonds, 8 hydrogen bond donors, and 68 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid;(4S)-4-amino-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid;1-O-tert-butyl 14-O-(2,5-dioxopyrrolidin-1-yl) tetradecanedioate;3-O,17-O-ditert-butyl 1-O-(2,5-dioxopyrrolidin-1-yl) (3R)-5-oxoheptadecane-1,3,17-tricarboxylate;(4R)-19-[(2-methylpropan-2-yl)oxy]-4-[(2-methylpropan-2-yl)oxycarbonyl]-6,19-dioxononadecanoic acid;14-[(2-methylpropan-2-yl)oxy]-14-oxotetradecanoic acid;tetradecanedioic acid is sourced from PubChem (CID 160596635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).