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Summary

Name:	(6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
Formula:	C20 H25 N5 O4 S
Formal charge:	0
Formula weight:	431.509 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(6S,8R)-N-[(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)carbamoyl]-6-(methylamino)-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-sulfonamide
OpenEye OEToolkits	2.0.7	1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[(6~{S})-6-(methylamino)-6,7-dihydro-5~{H}-pyrazolo[5,1-b][1,3]oxazin-3-yl]sulfonyl]urea

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(Nc1c2CCCc2cc2CCCc21)NS(=O)(=O)c1cnn2CC(COc12)NC
InChI	InChI	1.06	InChI=1S/C20H25N5O4S/c1-21-14-10-25-19(29-11-14)17(9-22-25)30(27,28)24-20(26)23-18-15-6-2-4-12(15)8-13-5-3-7-16(13)18/h8-9,14,21H,2-7,10-11H2,1H3,(H2,23,24,26)/t14-/m0/s1
InChIKey	InChI	1.06	NDRARVKETDZHBS-AWEZNQCLSA-N
SMILES_CANONICAL	CACTVS	3.385	CN[C@@H]1COc2n(C1)ncc2[S](=O)(=O)NC(=O)Nc3c4CCCc4cc5CCCc35
SMILES	CACTVS	3.385	CN[CH]1COc2n(C1)ncc2[S](=O)(=O)NC(=O)Nc3c4CCCc4cc5CCCc35
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN[C@H]1Cn2c(c(cn2)S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)OC1
SMILES	OpenEye OEToolkits	2.0.7	CNC1Cn2c(c(cn2)S(=O)(=O)NC(=O)Nc3c4c(cc5c3CCC5)CCC4)OC1

223532

PDB entries from 2024-08-07

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