5ZA

(5Z)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-5-[(4-AMINO-1H-INDOL-3-YL)METHYLENE]-3-(2-HYDROXYETHYL)-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE

Created:	2003-04-22
Last modified:	2024-09-27

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1 entries where 5ZA is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	2
Bond Count	47
Aromatic Bond Count	10

2D diagram of 5ZA

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Chemical Component Summary
Name	(5Z)-2-[(1S,2R)-1-AMINO-2-HYDROXYPROPYL]-5-[(4-AMINO-1H-INDOL-3-YL)METHYLENE]-3-(2-HYDROXYETHYL)-3,5-DIHYDRO-4H-IMIDAZOL-4-ONE
Systematic Name (OpenEye OEToolkits)	2-[(4Z)-2-[(1R,2R)-1-amino-2-hydroxy-propyl]-4-[(4-amino-1H-indol-3-yl)methylidene]-5-oxo-imidazol-1-yl]ethanoic acid
Formula	C₁₇ H₁₉ N₅ O₄
Molecular Weight	357.364
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1N(C(=N/C1=C\c3c2c(cccc2nc3)N)C(N)C(O)C)CC(=O)O
SMILES	CACTVS	3.341	C[CH](O)[CH](N)C1=NC(=Cc2c[nH]c3cccc(N)c23)C(=O)N1CC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CC(C(C1=NC(=Cc2c[nH]c3c2c(ccc3)N)C(=O)N1CC(=O)O)N)O
Canonical SMILES	CACTVS	3.341	C[C@@H](O)[C@H](N)C1=N\C(=C/c2c[nH]c3cccc(N)c23)C(=O)N1CC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H]([C@@H](C1=N/C(=C\c2c[nH]c3c2c(ccc3)N)/C(=O)N1CC(=O)O)N)O
InChI	InChI	1.03	InChI=1S/C17H19N5O4/c1-8(23)15(19)16-21-12(17(26)22(16)7-13(24)25)5-9-6-20-11-4-2-3-10(18)14(9)11/h2-6,8,15,20,23H,7,18-19H2,1H3,(H,24,25)/b12-5-/t8-,15+/m1/s1
InChIKey	InChI	1.03	JUWJATLABHTRDF-JURWUIOISA-N

Drug Info: DrugBank

DrugBank ID	DB01641
Name	{(4Z)-2-[(1R,2R)-1-Amino-2-hydroxypropyl]-4-[(4-amino-1H-indol-3-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid
Groups	experimental
Synonyms	{(4Z)-2-[(1R,2R)-1-Amino-2-hydroxypropyl]-4-[(4-amino-1H-indol-3-yl)methylene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid

Related Resource References

Resource Name	Reference
PubChem	46936180

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