Synonyms:
(3S)-3-amino-4-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-1-[(2S)-2-[[(2S,3S)-1-[[(1R,4R,7S,10S,13R,18R,21R,24S,30R,33S,36S,39S,42S,45R,50R,53S)-53-(4-aminobutyl)-18-[[(2S)-6-amino-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxohexan-2-yl]carbamoyl]-39,42-bis(2-amino-2-oxoethyl)-33-(3-amino-3-oxopropyl)-7-benzyl-10,24-bis[(2S)-butan-2-yl]-36-(hydroxymethyl)-3,6,9,12,20,23,26,29,32,35,38,41,44,52,55,60-hexadecaoxo-15,16,47,48,57,58,63,64-octathia-2,5,8,11,19,22,25,28,31,34,37,40,43,51,54,61-hexadecazatetracyclo[28.25.4.44,21.245,50]pentahexacontan-13-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-oxobutanoic acid
Appearance:
Storage:
Store in 2-8°C for long term (months)
Boiling point:
2726.8±65.0 °C(Predicted)
Melting point:
Flash point:
Smiles:
CC[C@H](C)[C@H]1C(=O)N[C@H]2CSSC[C@@H](C(=O)N[C@H]3CSSC[C@@H](C(=O)NCC(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4CSSC[C@@H](C(=O)N4)NC(=O)[C@@H](NC3=O)CCCCN)CC(=O)N)CC(=O)N)CO)CCC(=O)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@H](NC2=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)N)[C@@H](C)CC)CC7=CC=CC=C7
InchiKey:
KGTITKJUTWIGEA-SGOIEZHXSA-N
Inchi:
InChI=1S/C111H169N31O35S8/c1-9-51(4)83-106(171)135-74-49-184-183-48-73(102(167)132-69-44-179-178-43-68(89(154)119-41-81(150)137-83)129-91(156)61(30-31-77(115)146)122-97(162)67(42-143)128-96(161)64(39-79(117)148)123-94(159)63(38-78(116)147)124-100(165)71-46-181-182-47-72(101(166)134-71)130-90(155)59(120-98(69)163)27-18-20-32-112)131-93(158)62(35-56-23-14-12-15-24-56)125-107(172)84(52(5)10-2)138-104(169)75(50-185-180-45-70(133-103(74)168)99(164)121-60(28-19-21-33-113)92(157)141-87(55(8)145)111(176)177)136-108(173)85(53(6)11-3)139-105(170)76-29-22-34-142(76)110(175)66(36-57-25-16-13-17-26-57)127-95(160)65(40-80(118)149)126-109(174)86(54(7)144)140-88(153)58(114)37-82(151)152/h12-17,23-26,51-55,58-76,83-87,143-145H,9-11,18-22,27-50,112-114H2,1-8H3,(H2,115,146)(H2,116,147)(H2,117,148)(H2,118,149)(H,119,154)(H,120,163)(H,121,164)(H,122,162)(H,123,159)(H,124,165)(H,125,172)(H,126,174)(H,127,160)(H,128,161)(H,129,156)(H,130,155)(H,131,158)(H,132,167)(H,133,168)(H,134,166)(H,135,171)(H,136,173)(H,137,150)(H,138,169)(H,139,170)(H,140,153)(H,141,157)(H,151,152)(H,176,177)/t51-,52-,53-,54+,55+,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,83-,84-,85-,86-,87-/m0/s1
