CAS Number
Molecular Formula
C107H138Cl2N26O31;C108H140Cl2N26O31
Product format
Neat
Molecular Weight
2355.33; 2369.36
API Family
Synonyms
(S)-4-(((3S, 6R, 9S, 15S, 18S, 21S, 24R, 27S, 30S, 33R, 36S, 39R, 42R, 45R, 48S, 49R)-9, 24-bis(((R)-2-amino-4, 5-dihydro-1H-imidazol-5-yl)methyl)-42-(3-aminopropyl)-15-(3, 5-dichloro-4-hydroxyphenyl)-39-((R)-1-hydroxyethyl)-30-((S)-1-hydroxyethyl)-18-(hydroxymethyl)-3, 21, 33, 36, 45-pentakis(4-hydroxyphenyl)-6, 49-dimethyl-2, 5, 8, 11, 14, 17, 20, 23, 26, 29, 32, 35, 38, 41, 44, 47-hexadecaoxo-27-(3-ureidopropyl)-1-oxa-4, 7, 10, 13, 16, 19, 22, 25, 28, 31, 34, 37, 40, 43, 46-pentadecaazacyclononatetracontan-48-yl)amino)-3-((2Z, 4E)-10-methylundeca-2, 4-dienamido)-4-oxobutanoic acid compound with (3S)-4-(((3S, 6R, 9S, 15S, 18S, 21S, 24R, 27S, 30S, 33R, 36S, 39R, 42R, 45R, 48S, 49R)-9, 24-bis(((R)-2-amino-4, 5-dihydro-1H-imidazol-5-yl)methyl)-42-(3-aminopropyl)-15-(3, 5-dichloro-4-hydroxyphenyl)-39-((R)-1-hydroxyethyl)-30-((S)-1-hydroxyethyl)-18-(hydroxymethyl)-3, 21, 33, 36, 45-pentakis(4-hydroxyphenyl)-6, 49-dimethyl-2, 5, 8, 11, 14, 17, 20, 23, 26, 29, 32, 35, 38, 41, 44, 47-hexadecaoxo-27-(3-ureidopropyl)-1-oxa-4, 7, 10, 13, 16, 19, 22, 25, 28, 31, 34, 37, 40, 43, 46-pentadecaazacyclononatetracontan-48-yl)amino)-3-((2Z, 4E)-10-methyldodeca-2 and 4-dienamido)-4-oxobutanoic acid
Iupac Name
4-[[41-(4-aminobutyl)-9, 23-bis[(2-amino-4, 5-dihydro-1H-imidazol-4-yl)methyl]-26-[3-(carbamoylamino)propyl]-14-(3, 5-dichloro-4-hydroxyphenyl)-29, 38-bis(1-hydroxyethyl)-17-(hydroxymethyl)-3, 20, 32, 35, 43-pentakis(4-hydroxyphenyl)-6, 47-dimethyl-2, 5, 8, 11, 13, 16, 19, 22, 25, 28, 31, 34, 37, 40, 42, 45-hexadecaoxo-1-oxa-4, 7, 10, 12, 15, 18, 21, 24, 27, 30, 33, 36, 39, 41, 44-pentadecazacycloheptatetracont-46-yl]amino]-3-[[(2E, 4E)-10-methyldodeca-2 and 4-dienoyl]amino]-4-oxobutanoic acid;hydrate
InChI
InChI=1S/C107H138Cl2N26O31.H2O/c1-7-51(2)17-12-10-8-9-11-13-19-76(144)120-74(47-77(145)146)92(152)126-80-55(6)166-102(162)86(60-28-38-68(143)39-29-60)132-88(148)52(3)117-90(150)73(46-63-49-116-104(112)119-63)124-106(164)134-100(160)84(61-43-69(108)87(147)70(109)44-61)128-93(153)75(50-136)123-97(157)81(56-20-30-64(139)31-21-56)127-91(151)72(45-62-48-115-103(111)118-62)122-89(149)71(18-16-41-114-105(113)163)121-94(154)78(53(4)137)125-98(158)82(57-22-32-65(140)33-23-57)130-99(159)83(58-24-34-66(141)35-25-58)129-95(155)79(54(5)138)133-107(165)135(42-15-14-40-110)101(161)85(131-96(80)156)59-26-36-67(142)37-27-59;/h9,11,13,19-39,43-44,51-55,62-63,71-75,78-86,136-143,147H,7-8,10,12,14-18,40-42,45-50,110H2,1-6H3,(H,117,150)(H,120,144)(H,121,154)(H,122,149)(H,123,157)(H,125,158)(H,126,152)(H,127,151)(H,128,153)(H,129,155)(H,130,159)(H,131,156)(H,132,148)(H,133,165)(H,145,146)(H3,111,115,118)(H3,112,116,119)(H3,113,114,163)(H2,124,134,160,164);1H2/b11-9+,19-13+;
