Divamide b

Structural Information

Molecular Formula

C₇₉H₁₂₈N₂₁O₂₉S₃

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@H]2CS[C@H]([C@@H]3C(=O)N[C@H]4CS[C@H]([C@H](C(=O)N[C@H](C(=O)N1)C)NC(=O)[C@@H](NC(=O)[C@@H]5CCCN5C(=O)CNC(=O)[C@@H](NC(=O)[C@H](CNCCCC[C@H](NC(=O)[C@@H]([C@@H](SC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CO)C)NC(=O)[C@H](CCC(=O)O)[N+](C)(C)C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC2=O)[C@H](C(=O)O)O)[C@@H](C)O)C(=O)O)NC4=O)CO)[C@@H](C)CC)C)C

InChI

InChI=1S/C79H127N21O29S3/c1-14-33(3)53-72(120)90-47-32-132-39(9)57-77(125)91-46-31-131-38(8)56(75(123)84-36(6)62(110)93-53)96-73(121)54(34(4)15-2)94-69(117)48-20-18-24-99(48)51(105)27-82-63(111)43(28-101)88-64(112)42(86-67(46)115)25-80-23-17-16-19-41(78(126)127)85-76(124)58(97-74(122)55(37(7)103)92-50(104)26-81-71(119)59(98-68(47)116)60(108)79(128)129)40(10)130-30-45(89-70(118)49(100(11,12)13)21-22-52(106)107)66(114)83-35(5)61(109)87-44(29-102)65(113)95-57/h33-49,53-60,80,101-103,108H,14-32H2,1-13H3,(H20-,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,104,106,107,109,110,111,112,113,114,115,116,117,118,119,120,121,122,123,124,125,126,127,128,129)/p+1/t33-,34-,35-,36-,37+,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,53-,54-,55-,56+,57+,58+,59-,60+/m0/s1

InChIKey

BXUPAXDHRCWPIU-CIDQOVMCSA-O

Compound name

[(2S)-1-[[(1S,4S,13S,16S,19S,22S,25S,28R,31S,37S,40S,41S,44R,47S,50S,53S,56R,65S,70S,71S)-16,25-bis[(2S)-butan-2-yl]-65-carboxy-31-[(R)-carboxy(hydroxy)methyl]-37-[(1R)-1-hydroxyethyl]-4,50-bis(hydroxymethyl)-22,41,47,70,71-pentamethyl-2,5,8,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-octadecaoxo-42,69,72-trithia-3,6,9,15,18,21,24,27,30,33,36,39,46,49,52,55,58,60,66-nonadecazapentacyclo[38.18.9.319,56.328,53.09,13]triheptacontan-44-yl]amino]-4-carboxy-1-oxobutan-2-yl]-trimethylazanium

Related CIDs

• CID 131801638