Products 127902-33-4
CAS 127902-33-4 is the registry number for A71378. Offered by: MedChemExpress. Available pack sizes: Get quote.
(3S)-4-[[(2R)-1-[2-[[(2S)-2-[[1H-indol-3-ylmethyl-[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]acetyl]carbamoyl]amino]hexanoyl]carbamoyl]phenyl]propan-2-yl]amino]-3-(methylamino)-4-oxobutanoic acid (CAS 127902-33-4) is a chemical compound with the molecular formula C48H62N8O13S and a molecular weight of 991.1 g/mol. IUPAC name: (3S)-4-[[(2R)-1-[2-[[(2S)-2-[[1H-indol-3-ylmethyl-[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]acetyl]carbamoyl]amino]hexanoyl]carbamoyl]phenyl]propan-2-yl]amino]-3-(methylamino)-4-oxobutanoic acid. InChIKey: DLOJBPLQFCFYKX-QQYYTUMTSA-N.
| Molecular formula | C48H62N8O13S |
|---|---|
| Molecular weight | 991.1 g/mol |
| IUPAC name | (3S)-4-[[(2R)-1-[2-[[(2S)-2-[[1H-indol-3-ylmethyl-[2-[[(2S)-2-[3-(4-sulfooxyphenyl)propanoylamino]hexanoyl]amino]acetyl]carbamoyl]amino]hexanoyl]carbamoyl]phenyl]propan-2-yl]amino]-3-(methylamino)-4-oxobutanoic acid |
| InChIKey | DLOJBPLQFCFYKX-QQYYTUMTSA-N |
| SMILES | CCCC[C@@H](C(=O)NCC(=O)N(CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCC)C(=O)NC(=O)C3=CC=CC=C3C[C@@H](C)NC(=O)[C@H](CC(=O)O)NC)NC(=O)CCC4=CC=C(C=C4)OS(=O)(=O)O |
Computed by PubChem (NCBI)