Products 514814-99-4

CAS 514814-99-4 appears in our catalog under these names: PMX-53 TFA, PMX–53 (trifluoroacetate salt). Offered by: TargetMol, GLPBio. Available pack sizes: 1mg, 5mg, 10mg, 25mg.

PMX-53 TFA
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 4
from 1143.03
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PMX–53 (trifluoroacetate salt)
GLPBio
  • size: 1mg, 10mg, 25mg, 5mg
  • Variants: 4
from 807.66
View product
Structural formula: {0} (CAS {1})

(2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamide;2,2,2-trifluoroacetic acid (CAS 514814-99-4) is a chemical compound with the molecular formula C49H66F3N11O9 and a molecular weight of 1010.1 g/mol. IUPAC name: (2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamide;2,2,2-trifluoroacetic acid. InChIKey: GLBSQYCQCYBLHZ-XRANFBFSSA-N.

Identity
Molecular formulaC49H66F3N11O9
Molecular weight1010.1 g/mol
IUPAC name(2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamide;2,2,2-trifluoroacetic acid
InChIKeyGLBSQYCQCYBLHZ-XRANFBFSSA-N
SMILESCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@H]2CCCNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H]3CCCN3C2=O)CC4CCCCC4)CC5=CNC6=CC=CC=C65)CCCN=C(N)N.C(=O)(C(F)(F)F)O

Computed by PubChem (NCBI)

Synonyms: orb1980131
Related forms of this compound
(2S)-2-acetamido-N-[(3S,9S,12S,15R,18S)-15-(cyclohexylmethyl)-9-[3-(diaminomethylideneamino)propyl]-12-(1H-indol-3-ylmethyl)-2,8,11,14,17-pentaoxo-1,7,10,13,16-pentazabicyclo[16.3.0]henicosan-3-yl]-3-phenylpropanamide;2,2,2-trifluoroacetic acid C49H66F3N11O9