Bevonescein

Catalog No. : KL-2276787-790

Cas No. : 2276787-79-0

Standard English name : (S)-5-((S)-2-(((8S,11S,14S,17S,20S,23S,26S,29S)-1-amino-14,17-bis(4-aminobutyl)-26-(4-hydroxybenzyl)-8,11-bis(hydroxymethyl)-30-(4-hydroxyphenyl)-20,23-diisopropyl-1,4,7,10,13,16,19,22,25,28-decaoxo-3,6,9,12,15,18,21,24,27-nonaazatriacontan-29-yl)carbamoyl)pyrrolidin-1-yl)-4-((S)-2-((S)-2-((S)-1-((S)-2-((S)-5-amino-2-(3',6'-dihydroxy-3-oxo-3H-spiro[isobenzofuran-1,9'-xanthen]-5-ylcarboxamido)-5-oxopentanamido)-3-methylbutanoyl)pyrrolidine-2-carboxamido)-3-(1H-indol-3-yl)propanamido)-4-carboxybutanamido)-5-oxopentanoic acid

Molecular Formula : C₁₁₂H₁₄₄N₂₂O₃₂

Molecular Weight : 2,310.47

MDL No. : MFCD35595658

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Basic information

GHS
Smiles	O=C1C2=CC(=CC=C2C2(C3=CC=C(C=C3OC3=CC(=CC=C23)O)O)O1)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)C)C(N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H]([C@H](C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)N)CC1C=CC(O)=CC=1)CC1C=CC(O)=CC=1)=O)CC1C2C(=CC=CC=2)NC=1)=O
Inchi	InChI=1S/C112H144N22O32/c1-56(2)92(107(160)123-74(18-10-12-42-114)97(150)121-73(17-9-11-41-113)98(151)129-82(55-136)104(157)128-81(54-135)96(149)119-53-89(143)118-52-88(116)142)131-108(161)93(57(3)4)130-103(156)79(46-60-23-28-64(138)29-24-60)125-101(154)78(45-59-21-26-63(137)27-22-59)126-105(158)83-19-13-43-133(83)109(162)77(37-40-91(146)147)124-99(152)76(36-39-90(144)145)122-102(155)80(48-62-51-117-72-16-8-7-15-67(62)72)127-106(159)84-20-14-44-134(84)110(163)94(58(5)6)132-100(153)75(35-38-87(115)141)120-95(148)61-25-32-69-68(47-61)111(164)166-112(69)70-33-30-65(139)49-85(70)165-86-50-66(140)31-34-71(86)112/h7-8,15-16,21-34,47,49-51,56-58,73-84,92-94,117,135-140H,9-14,17-20,35-46,48,52-55,113-114H2,1-6H3,(H2,115,141)(H2,116,142)(H,118,143)(H,119,149)(H,120,148)(H,121,150)(H,122,155)(H,123,160)(H,124,152)(H,125,154)(H,126,158)(H,127,159)(H,128,157)(H,129,151)(H,130,156)(H,131,161)(H,132,153)(H,144,145)(H,146,147)/t73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,92-,93-,94-/m0/s1
InchiKey	QOJOBKQIRSTJPM-VAIPJCBFSA-N
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