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YNZ

Summary

Name:	(2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide
Formula:	C17 H23 N5 O2 S2
Formal charge:	0
Formula weight:	393.527 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2S)-N~1~-[(4P)-2-tert-butyl-4'-methyl[4,5'-bi-1,3-thiazol]-2'-yl]pyrrolidine-1,2-dicarboxamide
OpenEye OEToolkits	2.0.7	(2~{S})-~{N}1-[5-(2-~{tert}-butyl-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	CC(C)(C)c1nc(cs1)c1sc(NC(=O)N2CCCC2C(N)=O)nc1C
InChI	InChI	1.06	InChI=1S/C17H23N5O2S2/c1-9-12(10-8-25-14(20-10)17(2,3)4)26-15(19-9)21-16(24)22-7-5-6-11(22)13(18)23/h8,11H,5-7H2,1-4H3,(H2,18,23)(H,19,21,24)/t11-/m0/s1
InChIKey	InChI	1.06	HBPXWEPKNBHKAX-NSHDSACASA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1nc(NC(=O)N2CCC[C@H]2C(N)=O)sc1c3csc(n3)C(C)(C)C
SMILES	CACTVS	3.385	Cc1nc(NC(=O)N2CCC[CH]2C(N)=O)sc1c3csc(n3)C(C)(C)C
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	Cc1c(sc(n1)NC(=O)N2CCC[C@H]2C(=O)N)c3csc(n3)C(C)(C)C
SMILES	OpenEye OEToolkits	2.0.7	Cc1c(sc(n1)NC(=O)N2CCCC2C(=O)N)c3csc(n3)C(C)(C)C

220472

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