Synonyms:
(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(3S,6S,12S,15S,18S,25S,28S)-18-(2-amino-2-oxoethyl)-6-[(1R)-1-hydroxyethyl]-12-(1H-imidazol-4-ylmethyl)-15-(1H-indol-3-ylmethyl)-3-methyl-2,5,8,11,14,17,20,23,27-nonaoxo-22-oxa-1,4,7,10,13,16,19,26-octazabicyclo[26.3.0]hentriacontane-25-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic 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]([C@@H](C)CC)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CNC=N3)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](CC5=CC=C(C=C5)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@@H]8CC(=O)OCC(=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](C(=O)N9CCC[C@H]9C(=O)N8)C)[C@@H](C)O)CC1=CNC=N1)CC1=CNC2=CC=CC=C21)CC(=O)N
Inchi:
InChI=1S/C117H149N27O28/c1-12-60(7)97(113(166)139-89(117(170)171)43-69-51-123-78-31-22-19-28-75(69)78)143-114(167)98(61(8)13-2)142-110(163)87(47-94(150)151)136-103(156)79(38-58(3)4)131-106(159)85(45-71-53-120-57-126-71)130-100(153)62(9)127-102(155)80(39-65-24-15-14-16-25-65)132-104(157)81(40-66-33-35-72(146)36-34-66)138-112(165)96(59(5)6)141-109(162)83(42-68-50-122-77-30-21-18-27-74(68)77)134-108(161)88-48-95(152)172-55-93(149)129-86(46-91(118)147)107(160)133-82(41-67-49-121-76-29-20-17-26-73(67)76)105(158)135-84(44-70-52-119-56-125-70)101(154)124-54-92(148)140-99(64(11)145)115(168)128-63(10)116(169)144-37-23-32-90(144)111(164)137-88/h14-22,24-31,33-36,49-53,56-64,79-90,96-99,121-123,145-146H,12-13,23,32,37-48,54-55H2,1-11H3,(H2,118,147)(H,119,125)(H,120,126)(H,124,154)(H,127,155)(H,128,168)(H,129,149)(H,130,153)(H,131,159)(H,132,157)(H,133,160)(H,134,161)(H,135,158)(H,136,156)(H,137,164)(H,138,165)(H,139,166)(H,140,148)(H,141,162)(H,142,163)(H,143,167)(H,150,151)(H,170,171)/t60-,61-,62-,63-,64+,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,96-,97-,98-,99-/m0/s1
InchiKey:
NTNTUZDZYGZQNK-SWPHDRPBSA-N
