Divamide c

Structural Information

Molecular Formula

C₈₈H₁₃₇N₂₂O₃₀S₃

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(C)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)CCC(=O)N)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)CC6=CC=C(C=C6)O)C(C)C)C)C

InChI

InChI=1S/C88H136N22O30S3/c1-14-40(6)63-82(132)99-54-37-143-42(8)65-85(135)100-53-36-142-44(10)67(86(136)103-62(39(4)5)80(130)104-63)106-81(131)61(38(2)3)102-77(127)55-19-17-29-109(55)59(116)33-92-70(120)49(30-45-20-22-46(113)23-21-45)95-72(122)50(96-75(53)125)31-90-28-16-15-18-48(87(137)138)94-84(134)66(107-83(133)64(41(7)112)101-58(115)32-91-79(129)68(108-76(54)126)69(119)88(139)140)43(9)141-35-52(98-78(128)56(110(11,12)13)25-27-60(117)118)74(124)93-47(24-26-57(89)114)71(121)97-51(34-111)73(123)105-65/h20-23,38-44,47-56,61-69,90,111-112,119H,14-19,24-37H2,1-13H3,(H23-,89,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105,106,107,108,113,114,115,117,118,120,121,122,123,124,125,126,127,128,129,130,131,132,133,134,135,136,137,138,139,140)/p+1/t40-,41+,42-,43-,44-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,61-,62-,63-,64-,65+,66+,67+,68-,69+/m0/s1

InChIKey

HIYRPUQPBJGCCJ-MEIDKZPTSA-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)-47-(3-amino-3-oxopropyl)-25-[(2S)-butan-2-yl]-65-carboxy-31-[(R)-carboxy(hydroxy)methyl]-37-[(1R)-1-hydroxyethyl]-50-(hydroxymethyl)-4-[(4-hydroxyphenyl)methyl]-41,70,71-trimethyl-2,5,8,14,17,20,23,26,29,32,35,38,45,48,51,54,57,67-octadecaoxo-16,22-di(propan-2-yl)-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 131801645