3-[[6-amino-2-(pentadecanoylamino)hexanoyl]amino]-4-oxopentanoic acid;3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(pentadecanoylamino)butanoyl]amino]acetyl]amino]-4-oxopentanoic acid;3-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;4-oxo-3-(pentadecanoylamino)pentanoic acid

C169H286N14O34 — CID 162141983

IUPAC3-[[6-amino-2-(pentadecanoylamino)hexanoyl]amino]-4-oxopentanoic acid;3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(pentadecanoylamino)butanoyl]amino]acetyl]amino]-4-oxopentanoic acid;3-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;4-oxo-3-(pentadecanoylamino)pentanoic acid
SMILESCCCCCCCCCCCCCCC(=O)NC(CC(=O)O)C(C)=O.CCCCCCCCCCCCCCC(=O)NC(CC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CC(=O)O)C(C)=O.CCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(C)=O.CCCCCCCCCCCCCCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(=O)O)C(C)=O.CCCCCCCCCCCCCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(=O)O)C(C)=O.CCCCCCCCCCCCCCC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)NC(CC(=O)O)C(C)=O
InChIInChI=1S/C33H54N2O6.C31H47N3O5.C30H53N3O8.C29H46N2O6.C26H49N3O5.C20H37NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-30(37)34-29(32(40)35-28(25(2)36)24-31(38)39)23-26-19-21-27(22-20-26)41-33(3,4)5;1-3-4-5-6-7-8-9-10-11-12-13-14-19-29(36)33-28(31(39)34-27(23(2)35)21-30(37)38)20-24-22-32-26-18-16-15-17-25(24)26;1-6-7-8-9-10-11-12-13-14-15-16-17-18-25(35)33-24(20-28(39)41-30(3,4)5)29(40)31-21-26(36)32-23(22(2)34)19-27(37)38;1-3-4-5-6-7-8-9-10-11-12-13-14-15-27(34)30-26(20-23-16-18-24(33)19-17-23)29(37)31-25(22(2)32)21-28(35)36;1-3-4-5-6-7-8-9-10-11-12-13-14-18-24(31)28-22(17-15-16-19-27)26(34)29-23(21(2)30)20-25(32)33;1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)21-18(17(2)22)16-20(24)25/h19-22,28-29H,6-18,23-24H2,1-5H3,(H,34,37)(H,35,40)(H,38,39);15-18,22,27-28,32H,3-14,19-21H2,1-2H3,(H,33,36)(H,34,39)(H,37,38);23-24H,6-21H2,1-5H3,(H,31,40)(H,32,36)(H,33,35)(H,37,38);16-19,25-26,33H,3-15,20-21H2,1-2H3,(H,30,34)(H,31,37)(H,35,36);22-23H,3-20,27H2,1-2H3,(H,28,31)(H,29,34)(H,32,33);18H,3-16H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyZKAUZSXQJLVZDX-UHFFFAOYSA-N
MW3058.21 g/mol
LogP30.25
Rot. Bonds127

About 3-[[6-amino-2-(pentadecanoylamino)hexanoyl]amino]-4-oxopentanoic acid;3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(pentadecanoylamino)butanoyl]amino]acetyl]amino]-4-oxopentanoic acid;3-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;4-oxo-3-(pentadecanoylamino)pentanoic acid

3-[[6-amino-2-(pentadecanoylamino)hexanoyl]amino]-4-oxopentanoic acid;3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(pentadecanoylamino)butanoyl]amino]acetyl]amino]-4-oxopentanoic acid;3-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;4-oxo-3-(pentadecanoylamino)pentanoic acid (PubChem CID 162141983) has the molecular formula C169H286N14O34 and a molecular weight of 3058.21 g/mol. Its IUPAC name is 3-[[6-amino-2-(pentadecanoylamino)hexanoyl]amino]-4-oxopentanoic acid;3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(pentadecanoylamino)butanoyl]amino]acetyl]amino]-4-oxopentanoic acid;3-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;4-oxo-3-(pentadecanoylamino)pentanoic acid.

Molecular Properties

Compound Name3-[[6-amino-2-(pentadecanoylamino)hexanoyl]amino]-4-oxopentanoic acid;3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(pentadecanoylamino)butanoyl]amino]acetyl]amino]-4-oxopentanoic acid;3-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;4-oxo-3-(pentadecanoylamino)pentanoic acid
PubChem CID162141983
Molecular FormulaC169H286N14O34
Molecular Weight3058.21 g/mol
Exact Mass3056.11
IUPAC Name3-[[6-amino-2-(pentadecanoylamino)hexanoyl]amino]-4-oxopentanoic acid;3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(pentadecanoylamino)butanoyl]amino]acetyl]amino]-4-oxopentanoic acid;3-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;4-oxo-3-(pentadecanoylamino)pentanoic acid
SMILESCCCCCCCCCCCCCCC(=O)NC(CC(=O)O)C(C)=O.CCCCCCCCCCCCCCC(=O)NC(CC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CC(=O)O)C(C)=O.CCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(C)=O.CCCCCCCCCCCCCCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(=O)O)C(C)=O.CCCCCCCCCCCCCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(=O)O)C(C)=O.CCCCCCCCCCCCCCC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)NC(CC(=O)O)C(C)=O
InChIInChI=1S/C33H54N2O6.C31H47N3O5.C30H53N3O8.C29H46N2O6.C26H49N3O5.C20H37NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-30(37)34-29(32(40)35-28(25(2)36)24-31(38)39)23-26-19-21-27(22-20-26)41-33(3,4)5;1-3-4-5-6-7-8-9-10-11-12-13-14-19-29(36)33-28(31(39)34-27(23(2)35)21-30(37)38)20-24-22-32-26-18-16-15-17-25(24)26;1-6-7-8-9-10-11-12-13-14-15-16-17-18-25(35)33-24(20-28(39)41-30(3,4)5)29(40)31-21-26(36)32-23(22(2)34)19-27(37)38;1-3-4-5-6-7-8-9-10-11-12-13-14-15-27(34)30-26(20-23-16-18-24(33)19-17-23)29(37)31-25(22(2)32)21-28(35)36;1-3-4-5-6-7-8-9-10-11-12-13-14-18-24(31)28-22(17-15-16-19-27)26(34)29-23(21(2)30)20-25(32)33;1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)21-18(17(2)22)16-20(24)25/h19-22,28-29H,6-18,23-24H2,1-5H3,(H,34,37)(H,35,40)(H,38,39);15-18,22,27-28,32H,3-14,19-21H2,1-2H3,(H,33,36)(H,34,39)(H,37,38);23-24H,6-21H2,1-5H3,(H,31,40)(H,32,36)(H,33,35)(H,37,38);16-19,25-26,33H,3-15,20-21H2,1-2H3,(H,30,34)(H,31,37)(H,35,36);22-23H,3-20,27H2,1-2H3,(H,28,31)(H,29,34)(H,32,33);18H,3-16H2,1-2H3,(H,21,23)(H,24,25)
InChIKeyZKAUZSXQJLVZDX-UHFFFAOYSA-N
XLogP30.25
TPSA772.99 Ų
H-Bond Donors21
H-Bond Acceptors29
Rotatable Bonds127
Heavy Atoms217
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003058.21
LogP ≤ 530.25
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 3-[[6-amino-2-(pentadecanoylamino)hexanoyl]amino]-4-oxopentanoic acid;3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(pentadecanoylamino)butanoyl]amino]acetyl]amino]-4-oxopentanoic acid;3-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;4-oxo-3-(pentadecanoylamino)pentanoic acid with MolForge

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Launch Full Analysis

Related Compounds

(4S)-5-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[2-[[2-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(1S)-1-carboxyethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-[[(2S)-2-(hexanoylamino)-3-hydroxypropanoyl]amino]-5-oxopentanoic acid
CID 169283334
(3S)-3-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-[[2-[[(2R)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 53245710
(3S)-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 100979445
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2R)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2R)-3-carboxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 11818834
N-[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]tetradecanamide
CID 90681152
3-[2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoylamino]-4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-oxobutanoic acid
CID 72993160
(3S)-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-sulfooxyphenyl)propanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]-5-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-oxobutanoic acid
CID 14060900
(4S)-4-[[(2S)-6-amino-2-(octadecanoylamino)hexanoyl]amino]-5-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-5-oxopentanoic acid
CID 57111977
N-[(2R)-1-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]decanamide
CID 10351455
N-[(2S)-1-[[(2S)-1,6-diamino-1-oxohexan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]hexadecanamide
CID 46865226
2-[[(2S)-2-[[(2S)-2-(hexadecanoylamino)-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetic acid
CID 122376498
3-[[6-amino-2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-4-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-oxobutanoic acid
CID 19954452

Frequently Asked Questions

What is the IUPAC name of 3-[[6-amino-2-(pentadecanoylamino)hexanoyl]amino]-4-oxopentanoic acid;3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(pentadecanoylamino)butanoyl]amino]acetyl]amino]-4-oxopentanoic acid;3-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;4-oxo-3-(pentadecanoylamino)pentanoic acid?
The IUPAC name of 3-[[6-amino-2-(pentadecanoylamino)hexanoyl]amino]-4-oxopentanoic acid;3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(pentadecanoylamino)butanoyl]amino]acetyl]amino]-4-oxopentanoic acid;3-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;4-oxo-3-(pentadecanoylamino)pentanoic acid (CID 162141983) is 3-[[6-amino-2-(pentadecanoylamino)hexanoyl]amino]-4-oxopentanoic acid;3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(pentadecanoylamino)butanoyl]amino]acetyl]amino]-4-oxopentanoic acid;3-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;4-oxo-3-(pentadecanoylamino)pentanoic acid.
What is the SMILES notation for 3-[[6-amino-2-(pentadecanoylamino)hexanoyl]amino]-4-oxopentanoic acid;3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(pentadecanoylamino)butanoyl]amino]acetyl]amino]-4-oxopentanoic acid;3-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;4-oxo-3-(pentadecanoylamino)pentanoic acid?
The canonical SMILES for 3-[[6-amino-2-(pentadecanoylamino)hexanoyl]amino]-4-oxopentanoic acid;3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(pentadecanoylamino)butanoyl]amino]acetyl]amino]-4-oxopentanoic acid;3-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;4-oxo-3-(pentadecanoylamino)pentanoic acid is CCCCCCCCCCCCCCC(=O)NC(CC(=O)O)C(C)=O.CCCCCCCCCCCCCCC(=O)NC(CC(=O)OC(C)(C)C)C(=O)NCC(=O)NC(CC(=O)O)C(C)=O.CCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(C)=O.CCCCCCCCCCCCCCC(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(CC(=O)O)C(C)=O.CCCCCCCCCCCCCCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CC(=O)O)C(C)=O.CCCCCCCCCCCCCCC(=O)NC(Cc1ccc(OC(C)(C)C)cc1)C(=O)NC(CC(=O)O)C(C)=O.
What is the InChIKey of 3-[[6-amino-2-(pentadecanoylamino)hexanoyl]amino]-4-oxopentanoic acid;3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(pentadecanoylamino)butanoyl]amino]acetyl]amino]-4-oxopentanoic acid;3-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;4-oxo-3-(pentadecanoylamino)pentanoic acid?
The InChIKey is ZKAUZSXQJLVZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H54N2O6.C31H47N3O5.C30H53N3O8.C29H46N2O6.C26H49N3O5.C20H37NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-30(37)34-29(32(40)35-28(25(2)36)24-31(38)39)23-26-19-21-27(22-20-26)41-33(3,4)5;1-3-4-5-6-7-8-9-10-11-12-13-14-19-29(36)33-28(31(39)34-27(23(2)35)21-30(37)38)20-24-22-32-26-18-16-15-17-25(24)26;1-6-7-8-9-10-11-12-13-14-15-16-17-18-25(35)33-24(20-28(39)41-30(3,4)5)29(40)31-21-26(36)32-23(22(2)34)19-27(37)38;1-3-4-5-6-7-8-9-10-11-12-13-14-15-27(34)30-26(20-23-16-18-24(33)19-17-23)29(37)31-25(22(2)32)21-28(35)36;1-3-4-5-6-7-8-9-10-11-12-13-14-18-24(31)28-22(17-15-16-19-27)26(34)29-23(21(2)30)20-25(32)33;1-3-4-5-6-7-8-9-10-11-12-13-14-15-19(23)21-18(17(2)22)16-20(24)25/h19-22,28-29H,6-18,23-24H2,1-5H3,(H,34,37)(H,35,40)(H,38,39);15-18,22,27-28,32H,3-14,19-21H2,1-2H3,(H,33,36)(H,34,39)(H,37,38);23-24H,6-21H2,1-5H3,(H,31,40)(H,32,36)(H,33,35)(H,37,38);16-19,25-26,33H,3-15,20-21H2,1-2H3,(H,30,34)(H,31,37)(H,35,36);22-23H,3-20,27H2,1-2H3,(H,28,31)(H,29,34)(H,32,33);18H,3-16H2,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 3-[[6-amino-2-(pentadecanoylamino)hexanoyl]amino]-4-oxopentanoic acid;3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(pentadecanoylamino)butanoyl]amino]acetyl]amino]-4-oxopentanoic acid;3-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;4-oxo-3-(pentadecanoylamino)pentanoic acid?
3-[[6-amino-2-(pentadecanoylamino)hexanoyl]amino]-4-oxopentanoic acid;3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(pentadecanoylamino)butanoyl]amino]acetyl]amino]-4-oxopentanoic acid;3-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;4-oxo-3-(pentadecanoylamino)pentanoic acid has a molecular weight of 3058.21 g/mol, XLogP of 30.25, 127 rotatable bonds, 21 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-amino-2-(pentadecanoylamino)hexanoyl]amino]-4-oxopentanoic acid;3-[[3-(4-hydroxyphenyl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[3-(1H-indol-3-yl)-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;3-[[2-[[4-[(2-methylpropan-2-yl)oxy]-4-oxo-2-(pentadecanoylamino)butanoyl]amino]acetyl]amino]-4-oxopentanoic acid;3-[[3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(pentadecanoylamino)propanoyl]amino]-4-oxopentanoic acid;4-oxo-3-(pentadecanoylamino)pentanoic acid is sourced from PubChem (CID 162141983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).