EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:42576 - N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)ISOPIPECOLINIC ACID METHYL ESTER

Default Structure
ChEBI IDCHEBI:42576
ChEBI NameN-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)ISOPIPECOLINIC ACID METHYL ESTER
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC27H30N4O5S
Net Charge0
Average Mass522.627
Monoisotopic Mass522.19369
SMILES[H]/N=C(/c1c([H])c([H])c([H])c(C([H])([H])[C@@]([H])(C(=O)N2C([H])([H])C([H])([H])C([H])(C(=O)OC([H])([H])[H])C([H])([H])C2([H])[H])N([H])S(=O)(=O)c2c([H])c([H])c3c([H])c([H])c([H])c([H])c3c2[H])c1[H])N([H])[H]
InChIInChI=1S/C27H30N4O5S/c1-36-27(33)20-11-13-31(14-12-20)26(32)24(16-18-5-4-8-22(15-18)25(28)29)30-37(34,35)23-10-9-19-6-2-3-7-21(19)17-23/h2-10,15,17,20,24,30H,11-14,16H2,1H3,(H3,28,29)/t24-/m0/s1
InChIKeyJJLGQWCKMHPBEB-DEOSSOPVSA-N
ChEBI Ontology
Outgoing Relation(s)
N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)ISOPIPECOLINIC ACID METHYL ESTER (CHEBI:42576) is a unclassifieds (CHEBI:27189)
Synonyms  Source
methyl 1-[3-carbamimidoyl-N-(naphthalen-2-ylsulfonyl)-L-phenylalanyl]piperidine-4-carboxylatePDBeChem
N-ALPHA-(2-NAPHTHYLSULFONYL)-N(3-AMIDINO-L-PHENYLALANINYL)ISOPIPECOLINIC ACID METHYL ESTERPDBeChem
Manual XrefsDatabases
FD2PDBeChem