ODA

9-AMINO-6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPINE-1-CARBOXYLIC ACID

Created:	1999-10-14
Last modified:	2024-09-27

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1 entries where ODA is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	2
Bond Count	33
Aromatic Bond Count	0

2D diagram of ODA

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Chemical Component Summary
Name	9-AMINO-6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPINE-1-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	(1S,9S)-9-azanyl-6,10-dioxo-2,3,4,7,8,9-hexahydro-1H-pyridazino[1,2-a][1,2]diazepine-1-carboxylic acid
Formula	C₁₀ H₁₅ N₃ O₄
Molecular Weight	241.244
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C2N1C(=O)C(N)CCC(=O)N1CCC2
SMILES	CACTVS	3.370	N[CH]1CCC(=O)N2CCC[CH](N2C1=O)C(O)=O
SMILES	OpenEye OEToolkits	1.7.0	C1CC(N2C(=O)C(CCC(=O)N2C1)N)C(=O)O
Canonical SMILES	CACTVS	3.370	N[C@H]1CCC(=O)N2CCC[C@H](N2C1=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C1C[C@H](N2C(=O)[C@H](CCC(=O)N2C1)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C10H15N3O4/c11-6-3-4-8(14)12-5-1-2-7(10(16)17)13(12)9(6)15/h6-7H,1-5,11H2,(H,16,17)/t6-,7-/m0/s1
InChIKey	InChI	1.03	NWQJXXUYZOCKFS-BQBZGAKWSA-N

Related Resource References

Resource Name	Reference
PubChem	5289065

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