Cyclic (scyvlpcftvgctctssqcfkngtacge)

Structural Information

Molecular Formula

C₁₂₀H₁₈₃N₃₁O₄₀S₆

SMILES

C[C@H]1C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N1)[C@@H](C)O)CC(=O)N)CCCCN)CC3=CC=CC=C3)CS)CCC(=O)N)CO)CO)[C@@H](C)O)CS)[C@@H](C)O)CS)C(C)C)[C@@H](C)O)CC4=CC=CC=C4)CS)CC(C)C)C(C)C)CC5=CC=C(C=C5)O)CS)CO)CCC(=O)O)CS

InChI

InChI=1S/C120H183N31O40S6/c1-54(2)37-73-120(191)151-36-20-26-83(151)113(184)143-81(52-196)110(181)133-70(39-63-23-16-13-17-24-63)104(175)148-95(61(11)158)119(190)147-90(55(3)4)114(185)126-43-87(163)129-78(49-193)111(182)149-94(60(10)157)118(189)144-82(53-197)112(183)150-93(59(9)156)117(188)139-76(47-154)106(177)138-74(45-152)105(176)131-68(31-33-84(122)160)101(172)141-79(50-194)108(179)132-69(38-62-21-14-12-15-22-62)102(173)130-66(25-18-19-35-121)99(170)135-72(41-85(123)161)97(168)124-44-88(164)145-92(58(8)155)116(187)127-57(7)96(167)140-77(48-192)98(169)125-42-86(162)128-67(32-34-89(165)166)100(171)137-75(46-153)107(178)142-80(51-195)109(180)134-71(40-64-27-29-65(159)30-28-64)103(174)146-91(56(5)6)115(186)136-73/h12-17,21-24,27-30,54-61,66-83,90-95,152-159,192-197H,18-20,25-26,31-53,121H2,1-11H3,(H2,122,160)(H2,123,161)(H,124,168)(H,125,169)(H,126,185)(H,127,187)(H,128,162)(H,129,163)(H,130,173)(H,131,176)(H,132,179)(H,133,181)(H,134,180)(H,135,170)(H,136,186)(H,137,171)(H,138,177)(H,139,188)(H,140,167)(H,141,172)(H,142,178)(H,143,184)(H,144,189)(H,145,164)(H,146,174)(H,147,190)(H,148,175)(H,149,182)(H,150,183)(H,165,166)/t57-,58+,59+,60+,61+,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,90-,91-,92-,93-,94-,95-/m0/s1

InChIKey

FTYACSQYTVPPEY-JIQJZISXSA-N

Compound name

3-[(3S,6S,9S,12R,15S,18S,24R,27S,30S,36S,39S,42S,45R,48S,51S,54S,57S,60R,63S,66R,72S,75S,78S,81R,84S)-39-(4-aminobutyl)-36-(2-amino-2-oxoethyl)-48-(3-amino-3-oxopropyl)-42,78-dibenzyl-30,57,63,75-tetrakis[(1R)-1-hydroxyethyl]-15,51,54-tris(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-27-methyl-3-(2-methylpropyl)-2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80,83-octacosaoxo-6,72-di(propan-2-yl)-12,24,45,60,66,81-hexakis(sulfanylmethyl)-1,4,7,10,13,16,19,22,25,28,31,34,37,40,43,46,49,52,55,58,61,64,67,70,73,76,79,82-octacosazabicyclo[82.3.0]heptaoctacontan-18-yl]propanoic acid

Related CIDs

• CID 16131662