Synonyms:
(2S,3R)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(4R,7S,10S,13S,16S,19S,25S,28S,31S,34R)-34-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-7,13,28-tris(4-aminobutyl)-19-(carboxymethyl)-31-[(1R)-1-hydroxyethyl]-10,25-bis(hydroxymethyl)-16-(1H-indol-3-ylmethyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacontane-4-carbonyl]amino]-3-phenylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoic acid
Appearance:
Melting point:
Boiling point:
Flash point:
Storage:
Store in 2-8°C for long term (months)
Smiles:
CC[C@H](C)[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)[C@@H](C)O)CCCCN)CO)CC(=O)O)CC2=CNC3=CC=CC=C32)CCCCN)CO)CCCCN)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC6=CC=C(C=C6)O)NC(=O)[C@H](C(C)C)N
Inchi:
InChI=1S/C111H166N26O33S2/c1-11-56(6)87(133-96(154)72(38-39-82(115)146)123-106(164)86(55(4)5)132-109(167)89(58(8)141)134-101(159)75(127-105(163)85(116)54(2)3)45-63-32-36-66(145)37-33-63)107(165)131-81-53-172-171-52-80(103(161)125-73(43-61-23-13-12-14-24-61)97(155)124-74(44-62-30-34-65(144)35-31-62)100(158)135-90(59(9)142)110(168)137-91(60(10)143)111(169)170)130-95(153)70(28-18-21-41-113)121-102(160)79(51-139)129-93(151)69(27-17-20-40-112)120-98(156)76(46-64-48-117-68-26-16-15-25-67(64)68)126-99(157)77(47-84(148)149)119-83(147)49-118-92(150)78(50-138)128-94(152)71(29-19-22-42-114)122-108(166)88(57(7)140)136-104(81)162/h12-16,23-26,30-37,48,54-60,69-81,85-91,117,138-145H,11,17-22,27-29,38-47,49-53,112-114,116H2,1-10H3,(H2,115,146)(H,118,150)(H,119,147)(H,120,156)(H,121,160)(H,122,166)(H,123,164)(H,124,155)(H,125,161)(H,126,157)(H,127,163)(H,128,152)(H,129,151)(H,130,153)(H,131,165)(H,132,167)(H,133,154)(H,134,159)(H,135,158)(H,136,162)(H,137,168)(H,148,149)(H,169,170)/t56-,57+,58+,59+,60+,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,85-,86-,87-,88-,89-,90-,91-/m0/s1
InchiKey:
CUXCNNJNTYXOSO-ZMBQCZPNSA-N
