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Bn-NCC-1

PropertiesImageOccurences in reactions
MNX_IDMNXM119855Image of MNXM119855
#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
formulaC37H40N4O11
charge0
mass716.26936
referencechebi:168525
InChIKeyGVQYIMKPSDOTAH-UHFFFAOYSA-N
InChIInChI=1S/C37H40N4O11/c1-6-19-15(2)23(41-36(19)49)11-22-17(4)21(7-8-27(43)44)33(39-22)31-32(37(50)51)35(48)30-18(5)24(40-34(30)31)12-25-20(16(3)26(14-42)38-25)9-10-52-29(47)13-28(45)46/h6,14,23,31-32,38-40H,1,7-13H2,2-5H3,(H,41,49)(H,43,44)(H,45,46)(H,50,51)
SMILESC=CC1=C(C)C(Cc2[nH]c(C3c4[nH]c(Cc5[nH]c(C=O)c(C)c5CCOC(=O)CC(=O)O)c(C)c4C(=O)C3C(=O)O)c(CCC(=O)O)c2C)NC1=O
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Similar chemical compounds in external resources
IdentifierDescription
CHEBI:168525
chebi:168525 		Bn-NCC-1
2-[[3-[2-(2-carboxyacetyl)oxyethyl]-5-ormyl-4-methyl-1H-pyrrol-2-yl]methyl]-6-[3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-3-methyl-4-oxo-5,6-dihydro-1H-cyclopenta[b]pyrrole-5-carboxylic acid
hmdb:HMDB0038229 Bn-NCC-1
2-[(3-{2-[(2-carboxyacetyl)oxy]ethyl}-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-[3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-1,2-dihydropyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-3-methyl-4-oxo-1H,5H,6H-cyclopenta[b]pyrrole-5-carboxylic acid
2-[(3-{2-[(2-carboxyacetyl)oxy]ethyl}-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-[3-(2-carboxyethyl)-5-[(4-ethenyl-3-methyl-5-oxo-2,5-dihydro-1H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-3-methyl-4-oxo-1H,4H,5H,6H-cyclopenta[b]pyrrole-5-carboxylic acid
2-[(3-{2-[(2-carboxyacetyl)oxy]ethyl}-5-formyl-4-methyl-1H-pyrrol-2-yl)methyl]-6-[3-(2-carboxyethyl)-5-[(4-ethenyl-5-hydroxy-3-methyl-2H-pyrrol-2-yl)methyl]-4-methyl-1H-pyrrol-2-yl]-3-methyl-4-oxo-1H,4H,5H,6H-cyclopenta[b]pyrrole-5-carboxylate
hmdb:HMDB38229 secondary/obsolete/fantasy identifier