Products 182153-96-4

CAS 182153-96-4 is the registry number for BIM-23190. Offered by: Creative Peptides, MedChemExpress. Available pack sizes: on request, Get quote.

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

(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-7-ethyl-19-[[(2R)-2-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide (CAS 182153-96-4) is a chemical compound with the molecular formula C57H79N13O12S2 and a molecular weight of 1202.5 g/mol. IUPAC name: (4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-7-ethyl-19-[[(2R)-2-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide. InChIKey: YIGPOHXLINPVGT-CVGVOFIUSA-N.

Identity
Molecular formulaC57H79N13O12S2
Molecular weight1202.5 g/mol
IUPAC name(4R,7S,10S,13R,16S,19R)-10-(4-aminobutyl)-N-[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]-7-ethyl-19-[[(2R)-2-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]acetyl]amino]-3-phenylpropanoyl]amino]-16-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
InChIKeyYIGPOHXLINPVGT-CVGVOFIUSA-N
SMILESCC[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)[C@@H](CC5=CC=CC=C5)NC(=O)CN6CCN(CC6)CCO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N

Computed by PubChem (NCBI)

Synonyms: orb1691449