Synonyms:
(4R,7S,10S,13S,16S,19S,22R)-22-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-7,10-bis(4-aminobutyl)-13-[(1R)-1-hydroxyethyl]-19-methyl-6,9,12,15,18,21-hexaoxo-16-propan-2-yl-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carboxylic acid
Appearance:
Storage:
Store in 2-8°C for long term (months)
Boiling point:
2053.6±65.0 °C(Predicted)
Melting point:
Flash point:
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](NC1=O)C)C(C)C)[C@@H](C)O)CCCCN)CCCCN)C(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=CC=C3)N
InchiKey:
NSOITZIGPJTCMQ-KCXFZFQESA-N
Inchi:
InChI=1S/C97H167N23O22S3/c1-19-55(12)76(118-88(132)68(45-52(6)7)106-73(123)48-102-72(122)47-103-83(127)67(44-51(4)5)111-82(126)62(101)46-61-32-23-22-24-33-61)92(136)109-65(36-27-30-41-100)86(130)117-78(57(14)21-3)94(138)115-75(54(10)11)96(140)120-42-31-37-71(120)90(134)105-58(15)80(124)107-66(38-43-143-18)87(131)116-77(56(13)20-2)93(137)112-69-49-144-145-50-70(97(141)142)113-85(129)63(34-25-28-39-98)108-84(128)64(35-26-29-40-99)110-95(139)79(60(17)121)119-91(135)74(53(8)9)114-81(125)59(16)104-89(69)133/h22-24,32-33,51-60,62-71,74-79,121H,19-21,25-31,34-50,98-101H2,1-18H3,(H,102,122)(H,103,127)(H,104,133)(H,105,134)(H,106,123)(H,107,124)(H,108,128)(H,109,136)(H,110,139)(H,111,126)(H,112,137)(H,113,129)(H,114,125)(H,115,138)(H,116,131)(H,117,130)(H,118,132)(H,119,135)(H,141,142)/t55-,56-,57-,58-,59-,60+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,74-,75-,76-,77-,78-,79-/m0/s1
