[(5S)-5-[[(2S)-2-[[(2S)-2-azaniumyl-4-carboxybutanoyl]amino]propanoyl]amino]-6-[(2S)-2-formylpyrrolidin-1-yl]-6-oxohexyl]azanium

C19H35N5O6+2 — CID 137322706

IUPAC[(5S)-5-[[(2S)-2-[[(2S)-2-azaniumyl-4-carboxybutanoyl]amino]propanoyl]amino]-6-[(2S)-2-formylpyrrolidin-1-yl]-6-oxohexyl]azanium
SMILESC[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C=O
InChIInChI=1S/C19H33N5O6/c1-12(22-18(29)14(21)7-8-16(26)27)17(28)23-15(6-2-3-9-20)19(30)24-10-4-5-13(24)11-25/h11-15H,2-10,20-21H2,1H3,(H,22,29)(H,23,28)(H,26,27)/p+2/t12-,13-,14-,15-/m0/s1
InChIKeyRLUVVSPFGAXEAL-AJNGGQMLSA-P
MW429.52 g/mol
LogP-2.95
Rot. Bonds13

About [(5S)-5-[[(2S)-2-[[(2S)-2-azaniumyl-4-carboxybutanoyl]amino]propanoyl]amino]-6-[(2S)-2-formylpyrrolidin-1-yl]-6-oxohexyl]azanium

[(5S)-5-[[(2S)-2-[[(2S)-2-azaniumyl-4-carboxybutanoyl]amino]propanoyl]amino]-6-[(2S)-2-formylpyrrolidin-1-yl]-6-oxohexyl]azanium (PubChem CID 137322706) has the molecular formula C19H35N5O6+2 and a molecular weight of 429.52 g/mol. Its IUPAC name is [(5S)-5-[[(2S)-2-[[(2S)-2-azaniumyl-4-carboxybutanoyl]amino]propanoyl]amino]-6-[(2S)-2-formylpyrrolidin-1-yl]-6-oxohexyl]azanium.

Molecular Properties

Compound Name[(5S)-5-[[(2S)-2-[[(2S)-2-azaniumyl-4-carboxybutanoyl]amino]propanoyl]amino]-6-[(2S)-2-formylpyrrolidin-1-yl]-6-oxohexyl]azanium
PubChem CID137322706
Molecular FormulaC19H35N5O6+2
Molecular Weight429.52 g/mol
Exact Mass429.26
IUPAC Name[(5S)-5-[[(2S)-2-[[(2S)-2-azaniumyl-4-carboxybutanoyl]amino]propanoyl]amino]-6-[(2S)-2-formylpyrrolidin-1-yl]-6-oxohexyl]azanium
SMILESC[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C=O
InChIInChI=1S/C19H33N5O6/c1-12(22-18(29)14(21)7-8-16(26)27)17(28)23-15(6-2-3-9-20)19(30)24-10-4-5-13(24)11-25/h11-15H,2-10,20-21H2,1H3,(H,22,29)(H,23,28)(H,26,27)/p+2/t12-,13-,14-,15-/m0/s1
InChIKeyRLUVVSPFGAXEAL-AJNGGQMLSA-P
XLogP-2.95
TPSA188.16 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 5-2.95
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [(5S)-5-[[(2S)-2-[[(2S)-2-azaniumyl-4-carboxybutanoyl]amino]propanoyl]amino]-6-[(2S)-2-formylpyrrolidin-1-yl]-6-oxohexyl]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

(4S)-4-[[(2S)-1-[(2S)-6-amino-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
CID 89355903
(4S)-4-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-[(2S)-2-formylpyrrolidin-1-yl]-5-oxopentanoic acid
CID 54061744
(4S)-5-[(2S)-2-formylpyrrolidin-1-yl]-4-[[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-5-oxopentanoic acid
CID 173357645
1-[6-amino-2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]hexanoyl]pyrrolidine-2-carboxylic acid
CID 18262688
(4S)-4-[(4-aminobenzoyl)amino]-5-[[(2S)-1-[[(2S)-6-amino-1-(2-formylpyrrolidin-1-yl)-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid
CID 72550988
[(2S)-6-azaniumyl-1-[[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(carboxymethylcarbamoyl)pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]pyrrolidin-1-yl]-5-(diaminomethylamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]azanium
CID 78224698
1-[2-[2-[(2-amino-4-carboxybutanoyl)amino]propanoylamino]-3-carboxypropanoyl]pyrrolidine-2-carboxylic acid
CID 18262534
(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamidopropanoyl]amino]-3-carboxypropanoyl]amino]-6-aminohexanoyl]pyrrolidine-2-carboxylic acid
CID 14752836
1-[2-[[6-amino-2-[(2-amino-3-hydroxybutanoyl)amino]hexanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid
CID 18749603
(2S)-2-amino-N-[(2S)-5-amino-1-[(2S)-2-formylpyrrolidin-1-yl]-1-oxopentan-2-yl]-3-phenylpropanamide
CID 90705274
6-amino-2-[[1-[2-(2-aminopropanoylamino)-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]hexanoic acid
CID 18234859
[(2S)-6-azaniumyl-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(1S,2S)-1-carboxy-2-methylbutyl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]azanium
CID 78224676

Frequently Asked Questions

What is the IUPAC name of [(5S)-5-[[(2S)-2-[[(2S)-2-azaniumyl-4-carboxybutanoyl]amino]propanoyl]amino]-6-[(2S)-2-formylpyrrolidin-1-yl]-6-oxohexyl]azanium?
The IUPAC name of [(5S)-5-[[(2S)-2-[[(2S)-2-azaniumyl-4-carboxybutanoyl]amino]propanoyl]amino]-6-[(2S)-2-formylpyrrolidin-1-yl]-6-oxohexyl]azanium (CID 137322706) is [(5S)-5-[[(2S)-2-[[(2S)-2-azaniumyl-4-carboxybutanoyl]amino]propanoyl]amino]-6-[(2S)-2-formylpyrrolidin-1-yl]-6-oxohexyl]azanium.
What is the SMILES notation for [(5S)-5-[[(2S)-2-[[(2S)-2-azaniumyl-4-carboxybutanoyl]amino]propanoyl]amino]-6-[(2S)-2-formylpyrrolidin-1-yl]-6-oxohexyl]azanium?
The canonical SMILES for [(5S)-5-[[(2S)-2-[[(2S)-2-azaniumyl-4-carboxybutanoyl]amino]propanoyl]amino]-6-[(2S)-2-formylpyrrolidin-1-yl]-6-oxohexyl]azanium is C[C@H](NC(=O)[C@@H]([NH3+])CCC(=O)O)C(=O)N[C@@H](CCCC[NH3+])C(=O)N1CCC[C@H]1C=O.
What is the InChIKey of [(5S)-5-[[(2S)-2-[[(2S)-2-azaniumyl-4-carboxybutanoyl]amino]propanoyl]amino]-6-[(2S)-2-formylpyrrolidin-1-yl]-6-oxohexyl]azanium?
The InChIKey is RLUVVSPFGAXEAL-AJNGGQMLSA-P. The full InChI is InChI=1S/C19H33N5O6/c1-12(22-18(29)14(21)7-8-16(26)27)17(28)23-15(6-2-3-9-20)19(30)24-10-4-5-13(24)11-25/h11-15H,2-10,20-21H2,1H3,(H,22,29)(H,23,28)(H,26,27)/p+2/t12-,13-,14-,15-/m0/s1.
What are the key properties of [(5S)-5-[[(2S)-2-[[(2S)-2-azaniumyl-4-carboxybutanoyl]amino]propanoyl]amino]-6-[(2S)-2-formylpyrrolidin-1-yl]-6-oxohexyl]azanium?
[(5S)-5-[[(2S)-2-[[(2S)-2-azaniumyl-4-carboxybutanoyl]amino]propanoyl]amino]-6-[(2S)-2-formylpyrrolidin-1-yl]-6-oxohexyl]azanium has a molecular weight of 429.52 g/mol, XLogP of -2.95, 13 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(5S)-5-[[(2S)-2-[[(2S)-2-azaniumyl-4-carboxybutanoyl]amino]propanoyl]amino]-6-[(2S)-2-formylpyrrolidin-1-yl]-6-oxohexyl]azanium is sourced from PubChem (CID 137322706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).