RNG

(6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPIN-1-YL)-ACETALDEHYDE FRAGMENT

Created:	1999-07-08
Last modified:	2024-09-27

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1 entries where RNG is found in a polymer sequence

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Chemical Details
Formal Charge	0
Atom Count	33
Chiral Atom Count	1
Bond Count	34
Aromatic Bond Count	0

2D diagram of RNG

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Chemical Component Summary
Name	(6,10-DIOXO-OCTAHYDRO-PYRIDAZINO[1,2-A][1,2]DIAZEPIN-1-YL)-ACETALDEHYDE FRAGMENT
Synonyms	FUSED RING FRAGMENT OF INHIBITOR
Systematic Name (OpenEye OEToolkits)	2-[(4~{R})-6,10-bis(oxidanylidene)-2,3,4,7,8,9-hexahydro-1~{H}-pyridazino[1,2-a][1,2]diazepin-4-yl]ethanoic acid
Formula	C₁₁ H₁₆ N₂ O₄
Molecular Weight	240.256
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C1N2N(C(=O)CCC1)C(CCC2)CC=O
SMILES	CACTVS	3.385	OC(=O)C[CH]1CCCN2N1C(=O)CCCC2=O
SMILES	OpenEye OEToolkits	2.0.7	C1CC(N2C(=O)CCCC(=O)N2C1)CC(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)C[C@H]1CCCN2N1C(=O)CCCC2=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1C[C@@H](N2C(=O)CCCC(=O)N2C1)CC(=O)O
InChI	InChI	1.06	InChI=1S/C11H16N2O4/c14-9-4-1-5-10(15)13-8(7-11(16)17)3-2-6-12(9)13/h8H,1-7H2,(H,16,17)/t8-/m1/s1
InChIKey	InChI	1.06	PDRXEYTZAMUQQR-MRVPVSSYSA-N

Related Resource References

Resource Name	Reference
PubChem	49867607

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