Synonyms:
(3S)-3-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-[[(4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,43S,49S,52R)-19-(3-amino-3-oxopropyl)-49-benzyl-28,37-bis[(2S)-butan-2-yl]-4-[[2-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoyl]-31,40-bis(3-carbamimidamidopropyl)-34-(carboxymethyl)-16,43-bis(hydroxymethyl)-22-methyl-10-(2-methylsulfanylethyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacont-52-yl]amino]-4-oxobutanoic acid
Appearance:
Storage:
Store in 2-8°C for long term (months)
Boiling point:
Melting point:
Flash point:
Smiles:
CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)CC(=O)O)[C@@H](C)CC)CCCNC(=N)N)CO)CC2=CC=CC=C2)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O)CCSC)CO)CCC(=O)N)C
InchiKey:
PXYOWVXBIHVOKQ-QIGPNBQJSA-N
Inchi:
InChI=1S/C103H165N37O34S3/c1-7-50(3)79-97(171)122-39-72(146)123-52(5)81(155)128-60(27-28-71(105)145)89(163)137-66(45-142)85(159)120-40-74(148)125-61(29-34-175-6)83(157)118-43-76(150)127-69(86(160)121-41-73(147)124-56(23-15-30-114-100(106)107)87(161)129-57(24-16-31-115-101(108)109)88(162)135-65(99(173)174)36-54-21-13-10-14-22-54)48-176-177-49-70(138-93(167)63(37-77(151)152)133-95(169)68(47-144)136-82(156)55(104)44-141)96(170)132-62(35-53-19-11-9-12-20-53)84(158)119-42-75(149)126-67(46-143)94(168)131-59(26-18-33-117-103(112)113)91(165)140-80(51(4)8-2)98(172)134-64(38-78(153)154)92(166)130-58(90(164)139-79)25-17-32-116-102(110)111/h9-14,19-22,50-52,55-70,79-80,141-144H,7-8,15-18,23-49,104H2,1-6H3,(H2,105,145)(H,118,157)(H,119,158)(H,120,159)(H,121,160)(H,122,171)(H,123,146)(H,124,147)(H,125,148)(H,126,149)(H,127,150)(H,128,155)(H,129,161)(H,130,166)(H,131,168)(H,132,170)(H,133,169)(H,134,172)(H,135,162)(H,136,156)(H,137,163)(H,138,167)(H,139,164)(H,140,165)(H,151,152)(H,153,154)(H,173,174)(H4,106,107,114)(H4,108,109,115)(H4,110,111,116)(H4,112,113,117)/t50-,51-,52-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,79-,80-/m0/s1
