N-[6-amino-1-[[6-amino-1-[[6-amino-1-[[1-[[6-amino-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide

C40H79N15O7 — CID 21147593

IUPACN-[6-amino-1-[[6-amino-1-[[6-amino-1-[[1-[[6-amino-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1)C(N)=O
InChIInChI=1S/C40H79N15O7/c1-25(2)32(33(45)56)55-39(62)30(16-6-10-22-44)53-38(61)31(18-12-24-49-40(46)47)54-37(60)29(15-5-9-21-43)52-36(59)28(14-4-8-20-42)51-35(58)27(13-3-7-19-41)50-34(57)26-17-11-23-48-26/h25-32,48H,3-24,41-44H2,1-2H3,(H2,45,56)(H,50,57)(H,51,58)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H4,46,47,49)
InChIKeyQMLRCRKUAOSBLB-UHFFFAOYSA-N
MW882.17 g/mol
LogP-3.64
Rot. Bonds34

About N-[6-amino-1-[[6-amino-1-[[6-amino-1-[[1-[[6-amino-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide

N-[6-amino-1-[[6-amino-1-[[6-amino-1-[[1-[[6-amino-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide (PubChem CID 21147593) has the molecular formula C40H79N15O7 and a molecular weight of 882.17 g/mol. Its IUPAC name is N-[6-amino-1-[[6-amino-1-[[6-amino-1-[[1-[[6-amino-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[6-amino-1-[[6-amino-1-[[6-amino-1-[[1-[[6-amino-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
PubChem CID21147593
Molecular FormulaC40H79N15O7
Molecular Weight882.17 g/mol
Exact Mass881.63
IUPAC NameN-[6-amino-1-[[6-amino-1-[[6-amino-1-[[1-[[6-amino-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide
SMILESCC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1)C(N)=O
InChIInChI=1S/C40H79N15O7/c1-25(2)32(33(45)56)55-39(62)30(16-6-10-22-44)53-38(61)31(18-12-24-49-40(46)47)54-37(60)29(15-5-9-21-43)52-36(59)28(14-4-8-20-42)51-35(58)27(13-3-7-19-41)50-34(57)26-17-11-23-48-26/h25-32,48H,3-24,41-44H2,1-2H3,(H2,45,56)(H,50,57)(H,51,58)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H4,46,47,49)
InChIKeyQMLRCRKUAOSBLB-UHFFFAOYSA-N
XLogP-3.64
TPSA398.20 Ų
H-Bond Donors14
H-Bond Acceptors13
Rotatable Bonds34
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500882.17
LogP ≤ 5-3.64
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-[6-amino-1-[[6-amino-1-[[6-amino-1-[[1-[[6-amino-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide 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

(3S)-4-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-4-oxobutanoic acid
CID 175697408
(2S)-6-amino-2-[[(2S)-4-amino-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]-4-oxobutanoyl]amino]hexanoic acid
CID 10142432
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoyl]amino]pentanoic acid
CID 10102216
(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S,3R)-3-hydroxy-2-[[(2S)-3-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]butanoyl]amino]pentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]hexanoic acid
CID 11693696
(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-3-carboxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]butanedioic acid
CID 11467959
2-[2-[[6-amino-2-[[2-(pyrrolidine-2-carbonylamino)acetyl]amino]hexanoyl]amino]propanoylamino]-5-(diaminomethylideneamino)pentanoic acid
CID 22112685
(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-hydroxy-2-[[(2S)-4-methyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]pentanoyl]amino]pentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]propanoic acid
CID 102356622
(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoyl]amino]propanoyl]amino]-3-methylbutanoic acid
CID 11642788
(2S)-6-amino-2-[[(2S)-6-amino-2-(pyrrolidine-2-carbonylamino)hexanoyl]amino]hexanoic acid
CID 67743849
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-3-hydroxy-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoic acid
CID 145457566
(2S)-5-(diaminomethylideneamino)-2-[[(2S)-4-methylsulfanyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]butanoyl]amino]pentanoic acid
CID 145457530
(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]-5-(diaminomethylideneamino)pentanoic acid
CID 10326430

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-1-[[6-amino-1-[[6-amino-1-[[1-[[6-amino-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[6-amino-1-[[6-amino-1-[[6-amino-1-[[1-[[6-amino-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide (CID 21147593) is N-[6-amino-1-[[6-amino-1-[[6-amino-1-[[1-[[6-amino-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[6-amino-1-[[6-amino-1-[[6-amino-1-[[1-[[6-amino-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[6-amino-1-[[6-amino-1-[[6-amino-1-[[1-[[6-amino-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide is CC(C)C(NC(=O)C(CCCCN)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C1CCCN1)C(N)=O.
What is the InChIKey of N-[6-amino-1-[[6-amino-1-[[6-amino-1-[[1-[[6-amino-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is QMLRCRKUAOSBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H79N15O7/c1-25(2)32(33(45)56)55-39(62)30(16-6-10-22-44)53-38(61)31(18-12-24-49-40(46)47)54-37(60)29(15-5-9-21-43)52-36(59)28(14-4-8-20-42)51-35(58)27(13-3-7-19-41)50-34(57)26-17-11-23-48-26/h25-32,48H,3-24,41-44H2,1-2H3,(H2,45,56)(H,50,57)(H,51,58)(H,52,59)(H,53,61)(H,54,60)(H,55,62)(H4,46,47,49).
What are the key properties of N-[6-amino-1-[[6-amino-1-[[6-amino-1-[[1-[[6-amino-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide?
N-[6-amino-1-[[6-amino-1-[[6-amino-1-[[1-[[6-amino-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 882.17 g/mol, XLogP of -3.64, 34 rotatable bonds, 14 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-1-[[6-amino-1-[[6-amino-1-[[1-[[6-amino-1-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-1-oxohexan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 21147593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).