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EG00229

PropertiesImage
MNX_IDMNXM1128485 Image of MNXM1128485
referencechebi:166820
formulaC17H19N7O5S3
global charge0
mol weight497.584
InChIKeyZWWMEDURALZMEV-NSHDSACASA-N
InChIInChI=1S/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1
SMILESN=C(N)NCCC[C@H](NC(=O)C1=C(NS(=O)(=O)C2=CC=CC3=NSN=C23)C=CS1)C(=O)O
MNX internals
InChI (mnx)InChI=1/C17H19N7O5S3/c18-17(19)20-7-2-4-11(16(26)27)21-15(25)14-10(6-8-30-14)24-32(28,29)12-5-1-3-9-13(12)23-31-22-9/h1,3,5-6,8,11,24H,2,4,7H2,(H,21,25)(H,26,27)(H4,18,19,20)/t11-/m0/s1 Image of MNXM1128485
SMILES (mnx)[CH:1]1=[CH:3][C:9]2=[N:22][S:31][N:23]=[C:13]2[C:12]([S:32]([NH:24][C:10]2=[C:14]([C:15](=[N:21][C@@H:11]([CH2:4][CH2:2][CH2:7][NH:20][C:17](=[NH:18])[NH2:19])[C:16](=[O:26])[OH:27])[OH:25])[S:30][CH:8]=[CH:6]2)(=[O:28])=[O:29])=[CH:5]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:166820
chebi:166820
ZWWMEDURALZMEV-NSHDSACASA-N 		EG00229
EG 00229
EG-00229
N(2)-({3-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]thiophen-2-yl}carbonyl)-L-arginine
N(2)-[[3-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-2-thienyl]carbonyl]-L-arginine