SO8

2'-(L-ISOLEUCYL)AMINO-2'-DEOXYADENOSINE

Created:	2015-11-24
Last modified:	2016-08-03

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1 entries where SO8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	6
Bond Count	54
Aromatic Bond Count	10

2D diagram of SO8

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Chemical Component Summary
Name	2'-(L-ISOLEUCYL)AMINO-2'-DEOXYADENOSINE
Systematic Name (OpenEye OEToolkits)	(2S,3S)-N-[(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-2-azanyl-3-methyl-pentanamide
Formula	C₁₆ H₂₅ N₇ O₄
Molecular Weight	379.414
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC[CH](C)[CH](N)C(=O)N[CH]1[CH](O)[CH](CO)O[CH]1n2cnc3c(N)ncnc23
SMILES	OpenEye OEToolkits	1.7.6	CCC(C)C(C(=O)NC1C(C(OC1n2cnc3c2ncnc3N)CO)O)N
Canonical SMILES	CACTVS	3.385	CC[C@H](C)[C@H](N)C(=O)N[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n2cnc3c(N)ncnc23
Canonical SMILES	OpenEye OEToolkits	1.7.6	CC[C@H](C)[C@@H](C(=O)N[C@@H]1[C@@H]([C@H](O[C@H]1n2cnc3c2ncnc3N)CO)O)N
InChI	InChI	1.03	InChI=1S/C16H25N7O4/c1-3-7(2)9(17)15(26)22-10-12(25)8(4-24)27-16(10)23-6-21-11-13(18)19-5-20-14(11)23/h5-10,12,16,24-25H,3-4,17H2,1-2H3,(H,22,26)(H2,18,19,20)/t7-,8+,9-,10+,12+,16+/m0/s1
InChIKey	InChI	1.03	GWYBWPBDPROZEC-DTKXOMKJSA-N

Related Resource References

Resource Name	Reference
PubChem	121238094

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.