Synonyms:
(7S,10S,13S,16S)-22-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-7,10-bis(4-aminobutyl)-16-[(2S)-butan-2-yl]-13-[(1R)-1-hydroxyethyl]-19-(hydroxymethyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxylic 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]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CO)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CC=CC=C5)N)C(=O)O)CCCCN)CCCCN)[C@@H](C)O
Inchi:
InChI=1S/C123H206N30O28S3/c1-21-67(11)93(146-101(159)73(17)133-111(169)89-48-38-55-152(89)120(178)85(58-64(5)6)140-102(160)78(127)59-76-40-27-25-28-41-76)114(172)139-84(60-77-42-29-26-30-43-77)108(166)136-82(47-37-54-130-123(128)129)105(163)137-83(50-57-182-20)103(161)132-71(15)99(157)131-72(16)100(158)134-81(46-33-36-53-126)107(165)144-91(65(7)8)113(171)145-92(66(9)10)121(179)153-56-39-49-90(153)112(170)150-98(75(19)156)119(177)149-96(70(14)24-4)116(174)148-94(68(12)22-2)115(173)142-87-62-183-184-63-88(122(180)181)143-106(164)79(44-31-34-51-124)135-104(162)80(45-32-35-52-125)138-118(176)97(74(18)155)151-117(175)95(69(13)23-3)147-109(167)86(61-154)141-110(87)168/h25-30,40-43,64-75,78-98,154-156H,21-24,31-39,44-63,124-127H2,1-20H3,(H,131,157)(H,132,161)(H,133,169)(H,134,158)(H,135,162)(H,136,166)(H,137,163)(H,138,176)(H,139,172)(H,140,160)(H,141,168)(H,142,173)(H,143,164)(H,144,165)(H,145,171)(H,146,159)(H,147,167)(H,148,174)(H,149,177)(H,150,170)(H,151,175)(H,180,181)(H4,128,129,130)/t67-,68-,69-,70-,71-,72-,73-,74+,75+,78-,79-,80-,81-,82-,83-,84-,85-,86?,87?,88?,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-/m0/s1
InchiKey:
PEUWLHLETGSARO-LUQZTIPYSA-N
