Products 113714-78-6
CAS 113714-78-6 is the registry number for Ro 23-7014. Offered by: MedChemExpress. Available pack sizes: Get quote.
[4-[(2S)-2-acetamido-3-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3R)-2-amino-3-sulfooxybutanoyl]-[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-oxopropyl]phenyl] hydrogen sulfate (CAS 113714-78-6) is a chemical compound with the molecular formula C48H63N9O16S4 and a molecular weight of 1150.3 g/mol. IUPAC name: [4-[(2S)-2-acetamido-3-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3R)-2-amino-3-sulfooxybutanoyl]-[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-oxopropyl]phenyl] hydrogen sulfate. InChIKey: ATGIHKXYNJKTSQ-BOFCPEKLSA-N.
| Molecular formula | C48H63N9O16S4 |
|---|---|
| Molecular weight | 1150.3 g/mol |
| IUPAC name | [4-[(2S)-2-acetamido-3-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3R)-2-amino-3-sulfooxybutanoyl]-[(2S)-2-(methylamino)-3-phenylpropanoyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-oxopropyl]phenyl] hydrogen sulfate |
| InChIKey | ATGIHKXYNJKTSQ-BOFCPEKLSA-N |
| SMILES | C[C@H]([C@@H](C(=O)N(C(=O)[C@H](CCSC)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)CNC(=O)[C@H](CCSC)NC(=O)[C@H](CC3=CC=C(C=C3)OS(=O)(=O)O)NC(=O)C)C(=O)[C@H](CC4=CC=CC=C4)NC)N)OS(=O)(=O)O |
Computed by PubChem (NCBI)