Products 2983116-47-6

CAS 2983116-47-6 appears in our catalog under these names: Lib2–1, Lib2-1, 99.63%. Offered by: GLPBio, MedChemExpress. Available pack sizes: 1mg, 10mg, 25mg, 5mg, 5 mg, 10 mg, 50 mg, 25 mg.

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

2-[(3R,9S,12S,18S,21S,24S,27S,30S,33S,36S,39S,42S)-3-[(2-amino-2-oxoethyl)carbamoyl]-36-[(2S)-butan-2-yl]-24-(hydroxymethyl)-18,30,33,42-tetrakis[(4-hydroxyphenyl)methyl]-39-(1H-imidazol-4-ylmethyl)-27-methyl-9,21-bis(2-methylpropyl)-5,8,11,14,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecazacyclopentatetracont-12-yl]acetic acid (CAS 2983116-47-6) is a chemical compound with the molecular formula C81H108N18O23S and a molecular weight of 1733.9 g/mol. IUPAC name: 2-[(3R,9S,12S,18S,21S,24S,27S,30S,33S,36S,39S,42S)-3-[(2-amino-2-oxoethyl)carbamoyl]-36-[(2S)-butan-2-yl]-24-(hydroxymethyl)-18,30,33,42-tetrakis[(4-hydroxyphenyl)methyl]-39-(1H-imidazol-4-ylmethyl)-27-methyl-9,21-bis(2-methylpropyl)-5,8,11,14,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecazacyclopentatetracont-12-yl]acetic acid. InChIKey: GYEUKUWPMQEUMQ-OROZPHLRSA-N.

Identity
Molecular formulaC81H108N18O23S
Molecular weight1733.9 g/mol
IUPAC name2-[(3R,9S,12S,18S,21S,24S,27S,30S,33S,36S,39S,42S)-3-[(2-amino-2-oxoethyl)carbamoyl]-36-[(2S)-butan-2-yl]-24-(hydroxymethyl)-18,30,33,42-tetrakis[(4-hydroxyphenyl)methyl]-39-(1H-imidazol-4-ylmethyl)-27-methyl-9,21-bis(2-methylpropyl)-5,8,11,14,17,20,23,26,29,32,35,38,41,44-tetradecaoxo-1-thia-4,7,10,13,16,19,22,25,28,31,34,37,40,43-tetradecazacyclopentatetracont-12-yl]acetic acid
InChIKeyGYEUKUWPMQEUMQ-OROZPHLRSA-N
SMILESCC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSCC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CNC=N2)CC3=CC=C(C=C3)O)C(=O)NCC(=O)N)CC(C)C)CC(=O)O)CC4=CC=C(C=C4)O)CC(C)C)CO)C)CC5=CC=C(C=C5)O)CC6=CC=C(C=C6)O

Computed by PubChem (NCBI)

Synonyms: Lib2-1