EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:45817 - N-METHYL-N-{2-[(2-NAPHTHYLSULFONYL)AMINO]-5-[(2-NAPHTHYLSULFONYL)OXY]BENZOYL}-L-ASPARTIC ACID

Default Structure
ChEBI IDCHEBI:45817
ChEBI NameN-METHYL-N-{2-[(2-NAPHTHYLSULFONYL)AMINO]-5-[(2-NAPHTHYLSULFONYL)OXY]BENZOYL}-L-ASPARTIC ACID
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC32H26N2O10S2
Net Charge0
Average Mass662.698
Monoisotopic Mass662.10289
SMILES[H]OC(=O)C([H])([H])[C@@]([H])(C(=O)O[H])N(C(=O)c1c([H])c(OS(=O)(=O)c2c([H])c([H])c3c([H])c([H])c([H])c([H])c3c2[H])c([H])c([H])c1N([H])S(=O)(=O)c1c([H])c([H])c2c([H])c([H])c([H])c([H])c2c1[H])C([H])([H])[H]
InChIInChI=1S/C32H26N2O10S2/c1-34(29(32(38)39)19-30(35)36)31(37)27-18-24(44-46(42,43)26-14-11-21-7-3-5-9-23(21)17-26)12-15-28(27)33-45(40,41)25-13-10-20-6-2-4-8-22(20)16-25/h2-18,29,33H,19H2,1H3,(H,35,36)(H,38,39)/t29-/m0/s1
InChIKeyJOAALZBSMWLOPQ-LJAQVGFWSA-N
ChEBI Ontology
Outgoing Relation(s)
N-METHYL-N-{2-[(2-NAPHTHYLSULFONYL)AMINO]-5-[(2-NAPHTHYLSULFONYL)OXY]BENZOYL}-L-ASPARTIC ACID (CHEBI:45817) is a unclassifieds (CHEBI:27189)
Synonyms  Source
N-METHYL-N-{2-[(2-NAPHTHYLSULFONYL)AMINO]-5-[(2-NAPHTHYLSULFONYL)OXY]BENZOYL}-L-ASPARTIC ACIDPDBeChem
N-methyl-N-({2-[(naphthalen-2-ylsulfonyl)amino]-5-[(naphthalen-2-ylsulfonyl)oxy]phenyl}carbonyl)-L-aspartic acidPDBeChem
Manual XrefsDatabases
TAVPDBeChem