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Summary Geometry Related PDB entries

1Q7

Summary

Name:	6,6'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)
Formula:	C17 H25 N5 O2
Formal charge:	0
Formula weight:	331.413 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	6,6'-{[(2R)-3-aminopropane-1,2-diyl]bis(oxymethanediyl)}bis(4-methylpyridin-2-amine)
OpenEye OEToolkits	1.7.6	6-[[(2R)-3-azanyl-2-[(6-azanyl-4-methyl-pyridin-2-yl)methoxy]propoxy]methyl]-4-methyl-pyridin-2-amine

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n1c(N)cc(cc1COCC(OCc2nc(N)cc(c2)C)CN)C
InChI	InChI	1.03	InChI=1S/C17H25N5O2/c1-11-3-13(21-16(19)5-11)8-23-10-15(7-18)24-9-14-4-12(2)6-17(20)22-14/h3-6,15H,7-10,18H2,1-2H3,(H2,19,21)(H2,20,22)/t15-/m1/s1
InChIKey	InChI	1.03	FVCUZJIKIIWHJD-OAHLLOKOSA-N
SMILES_CANONICAL	CACTVS	3.370	Cc1cc(N)nc(COC[C@@H](CN)OCc2cc(C)cc(N)n2)c1
SMILES	CACTVS	3.370	Cc1cc(N)nc(COC[CH](CN)OCc2cc(C)cc(N)n2)c1
SMILES_CANONICAL	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)COC[C@@H](CN)OCc2cc(cc(n2)N)C
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)COCC(CN)OCc2cc(cc(n2)N)C

222415

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