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CHEBI:46417 - 3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4-NITRO-PHENYL ESTER

Default Structure
ChEBI IDCHEBI:46417
ChEBI Name3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4-NITRO-PHENYL ESTER
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC34H35N3O8S
Net Charge0
Average Mass645.734
Monoisotopic Mass645.21449
SMILES[H]c1c([H])c([H])c(C([H])([H])OC(=O)N([H])[C@]([H])(C(=O)N([H])[C@@]([H])(C([H])([H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])C([H])([H])C([H])([H])S(=O)(=O)Oc2c([H])c([H])c([N+](=O)[O-])c([H])c2[H])C([H])([H])c2c([H])c([H])c([H])c([H])c2[H])c([H])c1[H]
InChIInChI=1S/C34H35N3O8S/c38-33(32(24-27-12-6-2-7-13-27)36-34(39)44-25-28-14-8-3-9-15-28)35-29(17-16-26-10-4-1-5-11-26)22-23-46(42,43)45-31-20-18-30(19-21-31)37(40)41/h1-15,18-21,29,32H,16-17,22-25H2,(H,35,38)(H,36,39)/t29-,32-/m0/s1
InChIKeyWABCRPSWXFHXDH-NYDCQLBNSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4-NITRO-PHENYL ESTER (CHEBI:46417) is a unclassifieds (CHEBI:27189)
Synonyms  Source
3-[N-[BENZYLOXYCARBONYL]-PHENYLALANINYL-AMINO]-5-PHENYL-PENTANE-1-SULFONIC ACID 4-NITRO-PHENYL ESTERPDBeChem
4-nitrophenyl (3S)-3-({N-[(benzyloxy)carbonyl]-L-phenylalanyl}amino)-5-phenylpentane-1-sulfonatePDBeChem
Manual XrefsDatabases
VS3PDBeChem