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PMX-205

Go to external page http://purl.obolibrary.org/obo/CHEBI_144869

A homodetic cyclic peptide resulting from the formal condensation of the carboxy group of N(2)-(3-phenylpropanoyl)-L-ornithyl-L-prolyl-3-cyclohexyl-D-alanyl-L-tryptophyl-L-arginine with the 5-amino group of the N(2)-acylornithyl residue.

Term info

Label

PMX-205

Synonyms
  • N-[(3R,6S,9S,15S,20aS)-9-(3-carbamimidamidopropyl)-3-(cyclohexylmethyl)-6-(1H-indol-3-ylmethyl)-1,4,7,10,16-pentaoxoicosahydropyrrolo[1,2-a][1,4,7,10,13]pentaazacyclooctadecin-15-yl]-3-phenylpropanamide
database cross reference
Subsets

3_STAR

IUPAC NAME
N-[(3R,6S,9S,15S,20aS)-9-(3-carbamimidamidopropyl)-3-(cyclohexylmethyl)-6-(1H-indol-3-ylmethyl)-1,4,7,10,16-pentaoxoicosahydropyrrolo[1,2-a][1,4,7,10,13]pentaazacyclooctadecin-15-yl]-3-phenylpropanamide [ IUPAC ]

charge

0

formula

C45H62N10O6

has obo namespace

chebi_ontology

has related synonym

cyclic hexapeptide complement C5a antagonist, (5->1)-lactam-N(2)-(1-oxo-3-phenylpropyl)-L-ornithyl-L-prolyl-3-cyclohexyl-D-alanyl-L-tryptophyl-L-arginine, PMX205, hydrocinnamate-(orn-Pro-dcha-Trp-Arg), C5a receptor peptide antagonist, hydrocinnamate-cyclo(ornithyl-prolyl-D-cyclohexylalanyl-tryptophyl-arginyl), PMX 205

id

CHEBI:144869

inchi

InChI=1S/C45H62N10O6/c46-45(47)49-24-9-18-34-40(57)48-23-10-19-35(51-39(56)22-21-29-12-3-1-4-13-29)44(61)55-25-11-20-38(55)43(60)54-36(26-30-14-5-2-6-15-30)41(58)53-37(42(59)52-34)27-31-28-50-33-17-8-7-16-32(31)33/h1,3-4,7-8,12-13,16-17,28,30,34-38,50H,2,5-6,9-11,14-15,18-27H2,(H,48,57)(H,51,56)(H,52,59)(H,53,58)(H,54,60)(H4,46,47,49)/t34-,35-,36+,37-,38-/m0/s1

inchikey

VATFHFJULBPYLM-ILOBPARPSA-N

mass

839.055

monoisotopicmass

838.48538

smiles

C1CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC([C@]2(N(C([C@H](C1)NC(CCC=3C=CC=CC3)=O)=O)CCC2)[H])=O)CC4CCCCC4)CC=5C=6C=CC=CC6NC5)CCCNC(N)=N