Products 1262750-59-3
CAS 1262750-59-3 is the registry number for Novokinin (TFA). Offered by: MedChemExpress. Available pack sizes: Get quote.
(2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,2,2-trifluoroacetic acid (CAS 1262750-59-3) is a chemical compound with the molecular formula C41H62F3N11O9 and a molecular weight of 910.0 g/mol. IUPAC name: (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,2,2-trifluoroacetic acid. InChIKey: XDICFIKWLJNEIE-UNHDVCAASA-N.
| Molecular formula | C41H62F3N11O9 |
|---|---|
| Molecular weight | 910.0 g/mol |
| IUPAC name | (2S)-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoic acid;2,2,2-trifluoroacetic acid |
| InChIKey | XDICFIKWLJNEIE-UNHDVCAASA-N |
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CCCN=C(N)N)N.C(=O)(C(F)(F)F)O |
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