Products 852629-88-0

CAS 852629-88-0 appears in our catalog under these names: PMX 53 acetate(219639-75-5 free base)/ 99.91% (existing batch purity), PMX 53 (monoacetate), PMX 53 acetate. Offered by: TargetMol, MedChemExpress, Chemat. Available pack sizes: 1mg, 5mg, 10mg, 25mg, 50mg, 100mg, 200mg, 5 mg.

PMX 53 acetate(219639-75-5 free base)/ 99.91% (existing batch purity)
TargetMol
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 7
from 910.49
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PMX 53 (monoacetate)
MedChemExpress
  • size: 5 mg, 10 mg, 1 mg
  • Variants: 3
from 1559.64
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PMX 53 acetate
Chemat
  • size: 1mg, 5mg, 10mg, 25mg
  • Variants: 7
from 803.60
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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;acetic acid (CAS 852629-88-0) is a chemical compound with the molecular formula C49H69N11O9 and a molecular weight of 956.1 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;acetic acid. InChIKey: OTICDIKGFDHIIR-XRANFBFSSA-N.

Identity
Molecular formulaC49H69N11O9
Molecular weight956.1 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;acetic acid
InChIKeyOTICDIKGFDHIIR-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.CC(=O)O

Computed by PubChem (NCBI)

Synonyms: orb1296311