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Summary Geometry Related PDB entries

65U

Summary

Name:	5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
Formula:	C21 H19 N3 O4
Formal charge:	0
Formula weight:	377.393 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-benzyl-N-[(3S)-5-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzoxazepin-3-yl]-1,2-oxazole-3-carboxamide
OpenEye OEToolkits	2.0.4	~{N}-[(3~{S})-5-methyl-4-oxidanylidene-2,3-dihydro-1,5-benzoxazepin-3-yl]-5-(phenylmethyl)-1,2-oxazole-3-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(ccccc1)Cc4cc(C(NC3COc2ccccc2N(C)C3=O)=O)no4
InChI	InChI	1.03	InChI=1S/C21H19N3O4/c1-24-18-9-5-6-10-19(18)27-13-17(21(24)26)22-20(25)16-12-15(28-23-16)11-14-7-3-2-4-8-14/h2-10,12,17H,11,13H2,1H3,(H,22,25)/t17-/m0/s1
InChIKey	InChI	1.03	KNOUWGGQMADIBV-KRWDZBQOSA-N
SMILES_CANONICAL	CACTVS	3.385	CN1C(=O)[C@H](COc2ccccc12)NC(=O)c3cc(Cc4ccccc4)on3
SMILES	CACTVS	3.385	CN1C(=O)[CH](COc2ccccc12)NC(=O)c3cc(Cc4ccccc4)on3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.4	CN1c2ccccc2OC[C@@H](C1=O)NC(=O)c3cc(on3)Cc4ccccc4
SMILES	OpenEye OEToolkits	2.0.4	CN1c2ccccc2OCC(C1=O)NC(=O)c3cc(on3)Cc4ccccc4

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