Products 2778229-31-3
CAS 2778229-31-3 is the registry number for Mal-va-mac-SN38, 97.87%. Offered by: MedChemExpress. Available pack sizes: 10 mg, 1 mg, 5 mg.
[4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxymethyl]-N-(2-methylsulfonylethyl)carbamate (CAS 2778229-31-3) is a chemical compound with the molecular formula C52H61N7O14S and a molecular weight of 1040.1 g/mol. IUPAC name: [4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxymethyl]-N-(2-methylsulfonylethyl)carbamate. InChIKey: SOAJQWUCIOZQQL-VKSGSTCWSA-N.
| Molecular formula | C52H61N7O14S |
|---|---|
| Molecular weight | 1040.1 g/mol |
| IUPAC name | [4-[[(2S)-2-[[(2S)-2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-3-methylbutanoyl]amino]propanoyl]amino]phenyl]methyl N-[[(19S)-10,19-diethyl-19-hydroxy-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(20)-heptaen-7-yl]oxymethyl]-N-(2-methylsulfonylethyl)carbamate |
| InChIKey | SOAJQWUCIOZQQL-VKSGSTCWSA-N |
| SMILES | CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)OCN(CCS(=O)(=O)C)C(=O)OCC6=CC=C(C=C6)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)CCCCCN7C(=O)C=CC7=O |
Computed by PubChem (NCBI)
Synonyms:
Mal-va-mac-SN38, orb2664160