5P7

(1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol

Created:	2015-09-22
Last modified:	2016-10-05

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2 entries where 5P7 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	4
Bond Count	39
Aromatic Bond Count	11

2D diagram of 5P7

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Chemical Component Summary
Name	(1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol
Systematic Name (OpenEye OEToolkits)	(1S,2R,3R,5R)-3-(hydroxymethyl)-5-(quinazolin-4-ylamino)cyclopentane-1,2-diol
Formula	C₁₄ H₁₇ N₃ O₃
Molecular Weight	275.303
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC[CH]1C[CH](Nc2ncnc3ccccc23)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)c(ncn2)NC3CC(C(C3O)O)CO
Canonical SMILES	CACTVS	3.385	OC[C@H]1C[C@@H](Nc2ncnc3ccccc23)[C@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc2c(c1)c(ncn2)N[C@@H]3C[C@@H]([C@H]([C@H]3O)O)CO
InChI	InChI	1.03	InChI=1S/C14H17N3O3/c18-6-8-5-11(13(20)12(8)19)17-14-9-3-1-2-4-10(9)15-7-16-14/h1-4,7-8,11-13,18-20H,5-6H2,(H,15,16,17)/t8-,11-,12-,13+/m1/s1
InChIKey	InChI	1.03	CXHFBVLYDOBWST-STRQVWJDSA-N

Related Resource References

Resource Name	Reference
PubChem	122172806

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