A5R

amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium

Created:	2011-01-28
Last modified:	2024-09-27

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1 entries where A5R is found in a polymer sequence

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Chemical Details
Formal Charge	1
Atom Count	41
Chiral Atom Count	1
Bond Count	40
Aromatic Bond Count	0

2D diagram of A5R

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Chemical Component Summary
Name	amino{[(4S)-4-amino-9-carboxy-5-oxononyl]amino}methaniminium
Systematic Name (OpenEye OEToolkits)	[azanyl-[[(4S)-4-azanyl-10-hydroxy-5,10-dioxo-decyl]amino]methylidene]azanium
Formula	C₁₁ H₂₃ N₄ O₃
Molecular Weight	259.325
Type	PEPTIDE-LIKE

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(CCCCC(=O)O)C(N)CCCNC(=[NH2+])\N
SMILES	CACTVS	3.370	N[CH](CCCNC(N)=[NH2+])C(=O)CCCCC(O)=O
SMILES	OpenEye OEToolkits	1.7.0	C(CCC(=O)O)CC(=O)C(CCCNC(=[NH2+])N)N
Canonical SMILES	CACTVS	3.370	N[C@@H](CCCNC(N)=[NH2+])C(=O)CCCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	C(CCC(=O)O)CC(=O)[C@H](CCCNC(=[NH2+])N)N
InChI	InChI	1.03	InChI=1S/C11H22N4O3/c12-8(4-3-7-15-11(13)14)9(16)5-1-2-6-10(17)18/h8H,1-7,12H2,(H,17,18)(H4,13,14,15)/p+1/t8-/m0/s1
InChIKey	InChI	1.03	MYCFGDIVKLHPEU-QMMMGPOBSA-O

Related Resource References

Resource Name	Reference
PubChem	137348895

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