Chemical Name: (3S,6R,9R,15R,20R,23S,26S,29R,32R,37R,40S,45aS)-32-amino-40-(2-amino-2-oxoethyl)-26-(2-carboxyethyl)-23-(4-hydroxybenzyl)-9-(1-hydroxyethyl)-3-methyl-1,4,7,10,13,22,25,28,31,38,41,47-dodecaoxotetracontahydro-1H-37,20-(epiminomethano)-6,29-(methanodithiomethano)pyrrolo[2,1-s][1,2,27,28,5,8,11,14,17,20,23,32,35,38,41]tetrathiaundecaazacyclotritetracontine-15-carboxylic acid
Smiles: O=C([C@@H](NC(CNC([C@@H](C(O)C)NC([C@@](C(CC1S)S)([H])NC([C@H](C)NC([C@@](CCC2)([H])N2C([C@H](CC(N)=O)NC([C@]3([H])CSSC[C@H](N)C(N[C@]1([H])C(N[C@@H](CCC(O)=O)C(N[C@H]4CC5=CC=C(O)C=C5)=O)=O)=O)=O)=O)=O)=O)=O)=O)=O)CSSC[C@](C(N3)=O)([H])NC4=O)O
Inchi: InChI=1S/C60H80N14O22S6/c1-25-48(83)72-47-41(98)19-40(97)46-57(92)65-32(13-14-43(79)80)50(85)66-33(16-27-5-9-29(76)10-6-27)51(86)69-38(54(89)70-37(23-100-99-21-31(61)49(84)73-46)53(88)67-34(18-44(81)82)59(94)74-15-3-4-39(74)55(90)63-25)24-102-101-22-36(64-42(78)20-62-56(91)45(26(2)75)71-58(47)93)52(87)68-35(60(95)96)17-28-7-11-30(77)12-8-28/h5-12,25-26,31-41,45-47,75-77,97-98H,3-4,13-24,61H2,1-2H3,(H,62,91)(H,63,90)(H,64,78)(H,65,92)(H,66,85)(H,67,88)(H,68,87)(H,69,86)(H,70,89)(H,71,93)(H,72,83)(H,73,84)(H,79,80)(H,81,82)(H,95,96)/t25-,26?,31-,32-,33-,34-,35-,36-,37-,38-,39-,40?,41?,45+,46-,47-/m0/s1