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Summary Geometry Related PDB entries

QD0

Summary

Name:	(2S,4R)-N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide
Formula:	C12 H17 N3 O4
Formal charge:	0
Formula weight:	267.281 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-4-hydroxy-N-methyl-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-L-prolinamide
OpenEye OEToolkits	1.9.2	(2S,4R)-N-methyl-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N1C(C(=O)NC)CC(O)C1)Cc2onc(c2)C
InChI	InChI	1.03	InChI=1S/C12H17N3O4/c1-7-3-9(19-14-7)5-11(17)15-6-8(16)4-10(15)12(18)13-2/h3,8,10,16H,4-6H2,1-2H3,(H,13,18)/t8-,10+/m1/s1
InChIKey	InChI	1.03	RKIBNEDMQYMQFM-SCZZXKLOSA-N
SMILES_CANONICAL	CACTVS	3.385	CNC(=O)[C@@H]1C[C@@H](O)CN1C(=O)Cc2onc(C)c2
SMILES	CACTVS	3.385	CNC(=O)[CH]1C[CH](O)CN1C(=O)Cc2onc(C)c2
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NC)O
SMILES	OpenEye OEToolkits	1.9.2	Cc1cc(on1)CC(=O)N2CC(CC2C(=O)NC)O

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