Products 183658-72-2

CAS 183658-72-2 appears in our catalog under these names: CYN 154806, CYN 154806, CYN 154806 trifluoroacetate, CYN 154806 TRIFLUOROACETATE SALT, CYN 154806, 99%, 99%. Offered by: Creative Peptides, GLPBio, TargetMol, Biosynth, Sigma-Aldrich. Available pack sizes: on request, 1mg, 5mg, 10mg, 25mg, 500UG, 5 mg, 1 mg.

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

(4R,7S,10S,13R,16S,19S)-19-[[(2S)-2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-10-(4-aminobutyl)-N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-7-[(1R)-1-hydroxyethyl]-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 183658-72-2) is a chemical compound with the molecular formula C56H68N12O14S2 and a molecular weight of 1197.3 g/mol. IUPAC name: (4R,7S,10S,13R,16S,19S)-19-[[(2S)-2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-10-(4-aminobutyl)-N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-7-[(1R)-1-hydroxyethyl]-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: RDTVTSXTFYXNSG-HDNDNHAUSA-N.

Identity
Molecular formulaC56H68N12O14S2
Molecular weight1197.3 g/mol
IUPAC name(4R,7S,10S,13R,16S,19S)-19-[[(2S)-2-acetamido-3-(4-nitrophenyl)propanoyl]amino]-10-(4-aminobutyl)-N-[(2R)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-7-[(1R)-1-hydroxyethyl]-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
InChIKeyRDTVTSXTFYXNSG-HDNDNHAUSA-N
SMILESC[C@H]([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=C(C=C5)[N+](=O)[O-])NC(=O)C)C(=O)N[C@H](CC6=CC=C(C=C6)O)C(=O)N)O

Computed by PubChem (NCBI)