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Summary Geometry Related PDB entries

LM0

Summary

Name:	(3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
Formula:	C14 H17 N3 O3
Formal charge:	0
Formula weight:	275.303 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide
OpenEye OEToolkits	2.0.7	(3~{S})-~{N}',2-diethanoyl-3,4-dihydro-1~{H}-isoquinoline-3-carbohydrazide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(=O)NNC(=O)C1Cc2ccccc2CN1C(C)=O
InChI	InChI	1.06	InChI=1S/C14H17N3O3/c1-9(18)15-16-14(20)13-7-11-5-3-4-6-12(11)8-17(13)10(2)19/h3-6,13H,7-8H2,1-2H3,(H,15,18)(H,16,20)/t13-/m0/s1
InChIKey	InChI	1.06	SATVLGDJXZFYJA-ZDUSSCGKSA-N
SMILES_CANONICAL	CACTVS	3.385	CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1C(C)=O
SMILES	CACTVS	3.385	CC(=O)NNC(=O)[CH]1Cc2ccccc2CN1C(C)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC(=O)NNC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C
SMILES	OpenEye OEToolkits	2.0.7	CC(=O)NNC(=O)C1Cc2ccccc2CN1C(=O)C

221051

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