6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-carboxy-2-(methylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid

C81H116N20O34 — CID 171323011

IUPAC6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-carboxy-2-(methylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid
SMILESCCC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(=O)O)NC)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C81H116N20O34/c1-4-38(2)66(101-79(132)57(35-65(118)119)99-72(125)50(27-41-36-86-37-87-41)93-74(127)52(30-60(108)109)94-67(120)44(11-5-8-22-82)88-70(123)48(25-39-14-18-42(102)19-15-39)91-69(122)47(85-3)28-58(104)105)80(133)100-56(34-64(116)117)78(131)92-49(26-40-16-20-43(103)21-17-40)71(124)89-45(12-6-9-23-83)68(121)95-53(31-61(110)111)75(128)97-55(33-63(114)115)77(130)98-54(32-62(112)113)76(129)96-51(29-59(106)107)73(126)90-46(81(134)135)13-7-10-24-84/h14-21,36-38,44-57,66,85,102-103H,4-13,22-35,82-84H2,1-3H3,(H,86,87)(H,88,123)(H,89,124)(H,90,126)(H,91,122)(H,92,131)(H,93,127)(H,94,120)(H,95,121)(H,96,129)(H,97,128)(H,98,130)(H,99,125)(H,100,133)(H,101,132)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,134,135)
InChIKeyCTWAOELYPCXVIH-UHFFFAOYSA-N
MW1913.92 g/mol
LogP-8.46
Rot. Bonds66

About 6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-carboxy-2-(methylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid

6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-carboxy-2-(methylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid (PubChem CID 171323011) has the molecular formula C81H116N20O34 and a molecular weight of 1913.92 g/mol. Its IUPAC name is 6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-carboxy-2-(methylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-carboxy-2-(methylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid
PubChem CID171323011
Molecular FormulaC81H116N20O34
Molecular Weight1913.92 g/mol
Exact Mass1912.80
IUPAC Name6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-carboxy-2-(methylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid
SMILESCCC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(=O)O)NC)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)O
InChIInChI=1S/C81H116N20O34/c1-4-38(2)66(101-79(132)57(35-65(118)119)99-72(125)50(27-41-36-86-37-87-41)93-74(127)52(30-60(108)109)94-67(120)44(11-5-8-22-82)88-70(123)48(25-39-14-18-42(102)19-15-39)91-69(122)47(85-3)28-58(104)105)80(133)100-56(34-64(116)117)78(131)92-49(26-40-16-20-43(103)21-17-40)71(124)89-45(12-6-9-23-83)68(121)95-53(31-61(110)111)75(128)97-55(33-63(114)115)77(130)98-54(32-62(112)113)76(129)96-51(29-59(106)107)73(126)90-46(81(134)135)13-7-10-24-84/h14-21,36-38,44-57,66,85,102-103H,4-13,22-35,82-84H2,1-3H3,(H,86,87)(H,88,123)(H,89,124)(H,90,126)(H,91,122)(H,92,131)(H,93,127)(H,94,120)(H,95,121)(H,96,129)(H,97,128)(H,98,130)(H,99,125)(H,100,133)(H,101,132)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,134,135)
InChIKeyCTWAOELYPCXVIH-UHFFFAOYSA-N
XLogP-8.46
TPSA902.33 Ų
H-Bond Donors30
H-Bond Acceptors30
Rotatable Bonds66
Heavy Atoms135
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001913.92
LogP ≤ 5-8.46
H-Bond Donors ≤ 530
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-carboxy-2-(methylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic 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

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-carboxy-2-(methylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid?
The IUPAC name of 6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-carboxy-2-(methylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid (CID 171323011) is 6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-carboxy-2-(methylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid.
What is the SMILES notation for 6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-carboxy-2-(methylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid?
The canonical SMILES for 6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-carboxy-2-(methylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid is CCC(C)C(NC(=O)C(CC(=O)O)NC(=O)C(Cc1c[nH]cn1)NC(=O)C(CC(=O)O)NC(=O)C(CCCCN)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CC(=O)O)NC)C(=O)NC(CC(=O)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)O.
What is the InChIKey of 6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-carboxy-2-(methylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid?
The InChIKey is CTWAOELYPCXVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C81H116N20O34/c1-4-38(2)66(101-79(132)57(35-65(118)119)99-72(125)50(27-41-36-86-37-87-41)93-74(127)52(30-60(108)109)94-67(120)44(11-5-8-22-82)88-70(123)48(25-39-14-18-42(102)19-15-39)91-69(122)47(85-3)28-58(104)105)80(133)100-56(34-64(116)117)78(131)92-49(26-40-16-20-43(103)21-17-40)71(124)89-45(12-6-9-23-83)68(121)95-53(31-61(110)111)75(128)97-55(33-63(114)115)77(130)98-54(32-62(112)113)76(129)96-51(29-59(106)107)73(126)90-46(81(134)135)13-7-10-24-84/h14-21,36-38,44-57,66,85,102-103H,4-13,22-35,82-84H2,1-3H3,(H,86,87)(H,88,123)(H,89,124)(H,90,126)(H,91,122)(H,92,131)(H,93,127)(H,94,120)(H,95,121)(H,96,129)(H,97,128)(H,98,130)(H,99,125)(H,100,133)(H,101,132)(H,104,105)(H,106,107)(H,108,109)(H,110,111)(H,112,113)(H,114,115)(H,116,117)(H,118,119)(H,134,135).
What are the key properties of 6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-carboxy-2-(methylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid?
6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-carboxy-2-(methylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid has a molecular weight of 1913.92 g/mol, XLogP of -8.46, 66 rotatable bonds, 30 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[[6-amino-2-[[2-[[3-carboxy-2-(methylamino)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid is sourced from PubChem (CID 171323011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).