(S)-4-(4-((S)-2-((S)-2-((4R,7S,10S,13S,16S,19R)-19-Acetamido-7-(4-acetamidobutyl)-16-(2-amino-2-oxoethyl)-13-((R)-1-hydroxyethyl)-3,3,20,20-tetramethyl-10-((7-methyl-1H-indol-3-yl)methyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-(4-(2-aminoethoxy)phenyl)propanamido)-3-(naphthalen-2-yl)propanamido)tetrahydro-2H-pyran-4-carboxamido)-5-(((S)-4-amino-1-(((S)-1-((2-amino-2-oxoethyl)(methyl)amino)-1-oxo-3-(pyridin-3-yl)propan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-5-oxopentanoic acid

Catalog No. :: ACHYXU026
CAS No. :: 2763602-16-8
Molecular Formula :: C90H120N20O22S2
Molecular Weight :: 1898.20

IUPAC Name:(S)-4-(4-((S)-2-((S)-2-((4R,7S,10S,13S,16S,19R)-19-Acetamido-7-(4-acetamidobutyl)-16-(2-amino-2-oxoethyl)-13-((R)-1-hydroxyethyl)-3,3,20,20-tetramethyl-10-((7-methyl-1H-indol-3-yl)methyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-(4-(2-aminoethoxy)phenyl)propanamido)-3-(naphthalen-2-yl)propanamido)tetrahydro-2H-pyran-4-carboxamido)-5-(((S)-4-amino-1-(((S)-1-((2-amino-2-oxoethyl)(methyl)amino)-1-oxo-3-(pyridin-3-yl)propan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-5-oxopentanoic acid

(S)-4-(4-((S)-2-((S)-2-((4R,7S,10S,13S,16S,19R)-19-Acetamido-7-(4-acetamidobutyl)-16-(2-amino-2-oxoethyl)-13-((R)-1-hydroxyethyl)-3,3,20,20-tetramethyl-10-((7-methyl-1H-indol-3-yl)methyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-(4-(2-aminoethoxy)phenyl)propanamido)-3-(naphthalen-2-yl)propanamido)tetrahydro-2H-pyran-4-carboxamido)-5-(((S)-4-amino-1-(((S)-1-((2-amino-2-oxoethyl)(methyl)amino)-1-oxo-3-(pyridin-3-yl)propan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-5-oxopentanoic acid structure diagram

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Product Name	(S)-4-(4-((S)-2-((S)-2-((4R,7S,10S,13S,16S,19R)-19-Acetamido-7-(4-acetamidobutyl)-16-(2-amino-2-oxoethyl)-13-((R)-1-hydroxyethyl)-3,3,20,20-tetramethyl-10-((7-methyl-1H-indol-3-yl)methyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-(4-(2-aminoethoxy)phenyl)propanamido)-3-(naphthalen-2-yl)propanamido)tetrahydro-2H-pyran-4-carboxamido)-5-(((S)-4-amino-1-(((S)-1-((2-amino-2-oxoethyl)(methyl)amino)-1-oxo-3-(pyridin-3-yl)propan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-5-oxopentanoic acid
IUPAC Name	(S)-4-(4-((S)-2-((S)-2-((4R,7S,10S,13S,16S,19R)-19-Acetamido-7-(4-acetamidobutyl)-16-(2-amino-2-oxoethyl)-13-((R)-1-hydroxyethyl)-3,3,20,20-tetramethyl-10-((7-methyl-1H-indol-3-yl)methyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-(4-(2-aminoethoxy)phenyl)propanamido)-3-(naphthalen-2-yl)propanamido)tetrahydro-2H-pyran-4-carboxamido)-5-(((S)-4-amino-1-(((S)-1-((2-amino-2-oxoethyl)(methyl)amino)-1-oxo-3-(pyridin-3-yl)propan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-5-oxopentanoic acid
Molecular Formula	C90H120N20O22S2
Molecular Weight	1898.20
SMILES	N(C([C@H](CC1=CC2=C(C=C1)C=CC=C2)NC([C@H](CC3=CC=C(OCCN)C=C3)NC(=O)[C@H]4NC(=O)[C@H](CCCCNC(C)=O)NC(=O)[C@H](CC=5C=6C(NC5)=C(C)C=CC6)NC(=O)[C@]([C@@H](C)O)(NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(C)=O)C(C)(C)SSC4(C)C)[H])=O)=O)C7(C(N[C@H](C(N[C@H](C(N[C@@H](CC=8C=CC=NC8)C(N(CC(N)=O)C)=O)=O)CC(N)=O)=O)CCC(O)=O)=O)CCOCC7
InChI Key	IVFNYXYPMJQSGF-QMRCQSNESA-N
Synonym	Glycinamide, N-acetyl-3-mercapto-L-valyl-L-asparaginyl-L-threonyl-7-methyl-L-tryptophyl-N6-acetyl-L-lysyl-3-mercapto-L-valyl-O-(2-aminoethyl)-L-tyrosyl-3-(2-naphthalenyl)-L-alanyl-4-aminotetrahydro-2H-pyran-4-carbonyl-L-α-glutamyl-L-asparaginyl-3-(3-pyridinyl)-L-alanyl-N2-methyl-, cyclic (1→6)-disul…;Icotrokinra;JNJ-77242113;JNJ-2113;Glycinamide, N-acetyl-3-mercapto-L-valyl-L-asparaginyl-L-threonyl-7-methyl-L-tryptophyl-N6-acetyl-L-lysyl-3-mercapto-L-valyl-O-(2-aminoethyl)-L-tyrosyl-3-(2-naphthalenyl)-L-alanyl-4-aminotetrahydro-2H-pyran-4-carbonyl-L-α-glutamyl-L-asparaginyl-3-(3-pyridinyl)-L-alanyl-N2-methyl-, cyclic (1→6)-disulfide;Icotrokinra/JNJ-77242113/JNJ-2113/PN-235;(S)-4-(4-((S)-2-((S)-2-((4R,7S,10S,13S,16S,19R)-19-Acetamido-7-(4-acetamidobutyl)-16-(2-amino-2-oxoethyl)-13-((R)-1-hydroxyethyl)-3,3,20,20-tetramethyl-10-((7-methyl-1H-indol-3-yl)methyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamido)-3-(4-(2-aminoethoxy)phenyl)propanamido)-3-(naphthalen-2-yl)propanamido)tetrahydro-2H-pyran-4-carboxamido)-5-(((S)-4-amino-1-(((S)-1-((2-amino-2-oxoethyl)(methyl)amino)-1-oxo-3-(pyridin-3-yl)propan-2-yl)amino)-1,4-dioxobutan-2-yl)amino)-5-oxopentanoic acid
CAS No.	2763602-16-8

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(4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-N-((2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl)-19-((R)-2-amino-3-phenylpropanamido)-10-(3-guanidinopropyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-3,3-dimethyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide

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