56C

N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine

Created:	2015-08-03
Last modified:	2024-09-27

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1 entries where 56C is found in a polymer sequence

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Chemical Details
Formal Charge	1
Atom Count	56
Chiral Atom Count	1
Bond Count	55
Aromatic Bond Count	0

2D diagram of 56C

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Chemical Component Summary
Name	N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine
Systematic Name (OpenEye OEToolkits)	azanylidene-[2-[2-[2-[2-[[N-[(4S)-4-azanyl-5-oxidanyl-5-oxidanylidene-pentyl]carbamimidoyl]amino]ethoxy]ethoxy]ethoxy]ethylimino]azanium
Formula	C₁₄ H₃₀ N₇ O₅
Molecular Weight	376.432
Type	L-PEPTIDE LINKING

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	NC(C(=O)O)CCCN\C(=N)NCCOCCOCCOCC/N=[N+]=N
SMILES	CACTVS	3.385	N[CH](CCCNC(=N)NCCOCCOCCOCCN=[N+]=N)C(O)=O
SMILES	OpenEye OEToolkits	1.9.2	C(CC(C(=O)O)N)CNC(=N)NCCOCCOCCOCCN=[N+]=N
Canonical SMILES	CACTVS	3.385	N[C@@H](CCCNC(=N)NCCOCCOCCOCCN=[N+]=N)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	[H]/N=C(\NCCC[C@@H](C(=O)O)N)/NCCOCCOCCOCCN=[N+]=N
InChI	InChI	1.03	InChI=1S/C14H29N7O5/c15-12(13(22)23)2-1-3-18-14(16)19-4-6-24-8-10-26-11-9-25-7-5-20-21-17/h12,17H,1-11,15H2,(H3-,16,18,19,22,23)/p+1/t12-/m0/s1
InChIKey	InChI	1.03	WGFPPYKACPCFRG-LBPRGKRZSA-O

Related Resource References

Resource Name	Reference
PubChem	137348316

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