Products 1373926-49-8

CAS 1373926-49-8 appears in our catalog under these names: Ro 27-3225 TFA salt, RO27-3225 (TFA), 99.77%. Offered by: Creative Peptides, MedChemExpress. Available pack sizes: on request, 10 mg, 5 mg.

Structural formula: {0} (CAS {1})

(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-(butanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide;2,2,2-trifluoroacetic acid (CAS 1373926-49-8) is a chemical compound with the molecular formula C41H53F3N12O8 and a molecular weight of 898.9 g/mol. IUPAC name: (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-(butanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide;2,2,2-trifluoroacetic acid. InChIKey: XBNXUPIBUGBMCO-WYDLTDSDSA-N.

Identity
Molecular formulaC41H53F3N12O8
Molecular weight898.9 g/mol
IUPAC name(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)-methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-(butanoylamino)-3-(1H-imidazol-5-yl)propanoyl]amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanamide;2,2,2-trifluoroacetic acid
InChIKeyXBNXUPIBUGBMCO-WYDLTDSDSA-N
SMILESCCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N(C)CC(=O)N.C(=O)(C(F)(F)F)O

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