[(4S)-5-[[(2S)-6-azaniumyl-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium

C29H62N16O6+4 — CID 170513395

IUPAC[(4S)-5-[[(2S)-6-azaniumyl-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium
SMILESNC(=O)CC[C@H](N)C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)N[C@H](C=O)CCC[NH+]=C(N)N
InChIInChI=1S/C29H58N16O6/c30-12-2-1-7-19(44-26(51)21(9-5-15-41-29(37)38)43-23(48)18(31)10-11-22(32)47)25(50)45-20(8-4-14-40-28(35)36)24(49)42-17(16-46)6-3-13-39-27(33)34/h16-21H,1-15,30-31H2,(H2,32,47)(H,42,49)(H,43,48)(H,44,51)(H,45,50)(H4,33,34,39)(H4,35,36,40)(H4,37,38,41)/p+4/t17-,18-,19-,20-,21-/m0/s1
InChIKeyGJZACBBAWGUCOJ-SXYSDOLCSA-R
MW730.92 g/mol
LogP-12.47
Rot. Bonds28

About [(4S)-5-[[(2S)-6-azaniumyl-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium

[(4S)-5-[[(2S)-6-azaniumyl-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium (PubChem CID 170513395) has the molecular formula C29H62N16O6+4 and a molecular weight of 730.92 g/mol. Its IUPAC name is [(4S)-5-[[(2S)-6-azaniumyl-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium.

Molecular Properties

Compound Name[(4S)-5-[[(2S)-6-azaniumyl-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium
PubChem CID170513395
Molecular FormulaC29H62N16O6+4
Molecular Weight730.92 g/mol
Exact Mass730.50
IUPAC Name[(4S)-5-[[(2S)-6-azaniumyl-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium
SMILESNC(=O)CC[C@H](N)C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)N[C@H](C=O)CCC[NH+]=C(N)N
InChIInChI=1S/C29H58N16O6/c30-12-2-1-7-19(44-26(51)21(9-5-15-41-29(37)38)43-23(48)18(31)10-11-22(32)47)25(50)45-20(8-4-14-40-28(35)36)24(49)42-17(16-46)6-3-13-39-27(33)34/h16-21H,1-15,30-31H2,(H2,32,47)(H,42,49)(H,43,48)(H,44,51)(H,45,50)(H4,33,34,39)(H4,35,36,40)(H4,37,38,41)/p+4/t17-,18-,19-,20-,21-/m0/s1
InChIKeyGJZACBBAWGUCOJ-SXYSDOLCSA-R
XLogP-12.47
TPSA428.25 Ų
H-Bond Donors16
H-Bond Acceptors7
Rotatable Bonds28
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500730.92
LogP ≤ 5-12.47
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(4S)-5-[[(2S)-6-azaniumyl-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium 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

(2S)-2-amino-N-[(2S)-5-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide
CID 123711224
(2S)-2-amino-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanediamide
CID 173162221
(2S)-2-amino-N-[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]pentanediamide
CID 173087350
(2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-5-amino-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide
CID 123178673
2-amino-5-(diaminomethylideneamino)-N-[5-(diaminomethylideneamino)-1-[[5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 88888692
(2S)-2-amino-5-(diaminomethylideneamino)-N-[(2S)-5-(diaminomethylideneamino)-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]pentanamide
CID 173062657
2,6-diamino-N-(5-amino-1-oxopentan-2-yl)hexanamide
CID 123833893
4-amino-2-[[6-amino-2-[[5-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-5-oxopentanoyl]amino]hexanoyl]amino]-4-oxobutanoic acid
CID 18479383
(4S)-4-amino-5-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid
CID 91525114
(2S)-2-amino-N-[(2S)-4-amino-1-[[(2S)-6-amino-1-[[(2S)-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1,4-dioxobutan-2-yl]butanediamide
CID 54136273
2-[[6-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]hexanoyl]amino]-3-sulfanylpropanoic acid
CID 18220722
4-amino-5-[[5-amino-1-[[6-amino-1-[(4-amino-1-carboxy-4-oxobutyl)amino]-1-oxohexan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid
CID 18265061

Frequently Asked Questions

What is the IUPAC name of [(4S)-5-[[(2S)-6-azaniumyl-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium?
The IUPAC name of [(4S)-5-[[(2S)-6-azaniumyl-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium (CID 170513395) is [(4S)-5-[[(2S)-6-azaniumyl-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium.
What is the SMILES notation for [(4S)-5-[[(2S)-6-azaniumyl-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium?
The canonical SMILES for [(4S)-5-[[(2S)-6-azaniumyl-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium is NC(=O)CC[C@H](N)C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)N[C@@H](CCCC[NH3+])C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)N[C@H](C=O)CCC[NH+]=C(N)N.
What is the InChIKey of [(4S)-5-[[(2S)-6-azaniumyl-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium?
The InChIKey is GJZACBBAWGUCOJ-SXYSDOLCSA-R. The full InChI is InChI=1S/C29H58N16O6/c30-12-2-1-7-19(44-26(51)21(9-5-15-41-29(37)38)43-23(48)18(31)10-11-22(32)47)25(50)45-20(8-4-14-40-28(35)36)24(49)42-17(16-46)6-3-13-39-27(33)34/h16-21H,1-15,30-31H2,(H2,32,47)(H,42,49)(H,43,48)(H,44,51)(H,45,50)(H4,33,34,39)(H4,35,36,40)(H4,37,38,41)/p+4/t17-,18-,19-,20-,21-/m0/s1.
What are the key properties of [(4S)-5-[[(2S)-6-azaniumyl-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium?
[(4S)-5-[[(2S)-6-azaniumyl-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium has a molecular weight of 730.92 g/mol, XLogP of -12.47, 28 rotatable bonds, 16 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-5-[[(2S)-6-azaniumyl-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-[[(2S)-5-(diaminomethylideneazaniumyl)-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-[[(2S)-2,5-diamino-5-oxopentanoyl]amino]-5-oxopentyl]-(diaminomethylidene)azanium is sourced from PubChem (CID 170513395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).