4-(((5S,8S,11S,14S,17S,20S,23S,26S,29S,35S,38R)-14-(3-Amino-3-oxopropyl)-5-(4-aminobutyl)-20,23-di((S)-sec-butyl)-38-carbamoyl-11-(carboxymethyl)-26-(4-hydroxybenzyl)-29-(isoquinolin-7-ylmethyl)-8-(2-methoxyethyl)-4,7,13,28,37-pentamethyl-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxo-35-((6-phenylpyridin-3-yl)methyl)-1-thia-4,7,10,13,16,19,22,25,28,31,34,37-dodecaazacyclononatriacontan-17-yl)methyl)benzoic acid, 98% （TFA Salt）

cas: 3066113-41-2 — see every product listed under this CAS number, including other names

4-(((5S,8S,11S,14S,17S,20S,23S,26S,29S,35S,38R)-14-(3-Amino-3-oxopropyl)-5-(4-aminobutyl)-20,23-di((S)-sec-butyl)-38-carbamoyl-11-(carboxymethyl)-26-(4-hydroxybenzyl)-29-(isoquinolin-7-ylmethyl)-8-(2-methoxyethyl)-4,7,13,28,37-pentamethyl-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxo-35-((6-phenylpyridin-3-yl)methyl)-1-thia-4,7,10,13,16,19,22,25,28,31,34,37-dodecaazacyclononatriacontan-17-yl)methyl)benzoic acid, 98% （TFA Salt） (CAS 3066113-41-2) is a chemical reagent available from Chemat. Available pack sizes: 1mg, 5mg, 10mg. Offered by: BLDpharm.

• 2D
• 3D

4-[[(5S,8S,11S,14S,17S,20S,23S,26S,29S,35S,38R)-5-(4-aminobutyl)-14-(3-amino-3-oxopropyl)-20,23-bis[(2S)-butan-2-yl]-38-carbamoyl-11-(carboxymethyl)-26-[(4-hydroxyphenyl)methyl]-29-(isoquinolin-7-ylmethyl)-8-(2-methoxyethyl)-4,7,13,28,37-pentamethyl-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxo-35-[(6-phenyl-3-pyridinyl)methyl]-1-thia-4,7,10,13,16,19,22,25,28,31,34,37-dodecazacyclononatriacont-17-yl]methyl]benzoic acid (CAS 3066113-41-2) is a chemical compound with the molecular formula C89H117N17O20S and a molecular weight of 1777.0 g/mol. IUPAC name: 4-[[(5S,8S,11S,14S,17S,20S,23S,26S,29S,35S,38R)-5-(4-aminobutyl)-14-(3-amino-3-oxopropyl)-20,23-bis[(2S)-butan-2-yl]-38-carbamoyl-11-(carboxymethyl)-26-[(4-hydroxyphenyl)methyl]-29-(isoquinolin-7-ylmethyl)-8-(2-methoxyethyl)-4,7,13,28,37-pentamethyl-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxo-35-[(6-phenyl-3-pyridinyl)methyl]-1-thia-4,7,10,13,16,19,22,25,28,31,34,37-dodecazacyclononatriacont-17-yl]methyl]benzoic acid. InChIKey: PYMAEUAJSNRIPO-XLEDTRRYSA-N.

Identity

Molecular formula	C89H117N17O20S
Molecular weight	1777.0 g/mol
IUPAC name	4-[[(5S,8S,11S,14S,17S,20S,23S,26S,29S,35S,38R)-5-(4-aminobutyl)-14-(3-amino-3-oxopropyl)-20,23-bis[(2S)-butan-2-yl]-38-carbamoyl-11-(carboxymethyl)-26-[(4-hydroxyphenyl)methyl]-29-(isoquinolin-7-ylmethyl)-8-(2-methoxyethyl)-4,7,13,28,37-pentamethyl-3,6,9,12,15,18,21,24,27,30,33,36-dodecaoxo-35-[(6-phenyl-3-pyridinyl)methyl]-1-thia-4,7,10,13,16,19,22,25,28,31,34,37-dodecazacyclononatriacont-17-yl]methyl]benzoic acid
InChIKey	PYMAEUAJSNRIPO-XLEDTRRYSA-N
SMILES	CC[C@H](C)[C@H]1C(=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](CSCC(=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)N1)CC2=CC=C(C=C2)C(=O)O)CCC(=O)N)C)CC(=O)O)CCOC)C)CCCCN)C)C(=O)N)C)CC3=CN=C(C=C3)C4=CC=CC=C4)CC5=CC6=C(C=C5)C=CN=C6)C)CC7=CC=C(C=C7)O)[C@@H](C)CC

Computed by PubChem (NCBI)

Synonyms: cyclo(Ac-MeK--MeHseMe-D-MeQ-F4COO-I-I-Y-MeNal27N-G-3Py6Ph-MeC)-NH2, orb2942825