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Summary Geometry Related PDB entries

69A

Summary

Name:	(4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide
Formula:	C18 H19 N3 O2
Formal charge:	0
Formula weight:	309.362 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide
OpenEye OEToolkits	2.0.4	(4~{R})-4-methyl-2-oxidanylidene-~{N}-(phenylmethyl)-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2ccc1NC(=O)CC(C)Nc1c2C(NCc3ccccc3)=O
InChI	InChI	1.03	InChI=1S/C18H19N3O2/c1-12-10-16(22)21-15-9-5-8-14(17(15)20-12)18(23)19-11-13-6-3-2-4-7-13/h2-9,12,20H,10-11H2,1H3,(H,19,23)(H,21,22)/t12-/m1/s1
InChIKey	InChI	1.03	NUBAPEXWNUTLEU-GFCCVEGCSA-N
SMILES_CANONICAL	CACTVS	3.385	C[C@@H]1CC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2N1
SMILES	CACTVS	3.385	C[CH]1CC(=O)Nc2cccc(C(=O)NCc3ccccc3)c2N1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	C[C@@H]1CC(=O)Nc2cccc(c2N1)C(=O)NCc3ccccc3
SMILES	OpenEye OEToolkits	2.0.4	CC1CC(=O)Nc2cccc(c2N1)C(=O)NCc3ccccc3

219869

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