Las[des1-6]-nh2

Structural Information

Molecular Formula

C₉₈H₁₇₉N₂₉O₂₁S₄

SMILES

CC[C@H](C)[C@H]1C(=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]2CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)C)NC(=O)[C@H](CC(C)C)N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@@H](NC2=O)CCCCN)CC(C)C)CCCCN)CC(C)C)C(C)C)CCCCN)C(=O)N)CCCCN)CCCCN)CCCCN)CCCCN)C

InChI

InChI=1S/C98H179N29O21S4/c1-13-58(10)79-98(148)111-59(11)81(131)113-65(32-17-24-40-102)87(137)116-66(33-18-25-41-103)88(138)114-62(29-14-21-37-99)84(134)108-48-76(128)112-64(31-16-23-39-101)86(136)123-73-52-150-149-50-71(80(107)130)121-90(140)68(35-20-27-43-105)118-95(145)74(53-152-151-51-72(93(143)110-60(12)82(132)126-79)122-83(133)61(106)45-54(2)3)124-97(147)78(57(8)9)125-92(142)70(47-56(6)7)119-89(139)67(34-19-26-42-104)117-91(141)69(46-55(4)5)120-96(146)75-36-28-44-127(75)77(129)49-109-85(135)63(115-94(73)144)30-15-22-38-100/h54-75,78-79H,13-53,99-106H2,1-12H3,(H2,107,130)(H,108,134)(H,109,135)(H,110,143)(H,111,148)(H,112,128)(H,113,131)(H,114,138)(H,115,144)(H,116,137)(H,117,141)(H,118,145)(H,119,139)(H,120,146)(H,121,140)(H,122,133)(H,123,136)(H,124,147)(H,125,142)(H,126,132)/t58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,78-,79-/m0/s1

InChIKey

JXPPXCVZIODNPE-ORBGAUFYSA-N

Compound name

(1R,6R,9S,12S,15S,18S,21S,24S,30S,33R,36S,45S,48S,51S,54S,57S,62S,65R)-18,21,24,30,36,51,62-heptakis(4-aminobutyl)-6-[[(2S)-2-amino-4-methylpentanoyl]amino]-12-[(2S)-butan-2-yl]-9,15-dimethyl-48,54-bis(2-methylpropyl)-7,10,13,16,19,22,25,28,31,34,37,40,46,49,52,55,58,60,63-nonadecaoxo-57-propan-2-yl-3,4,67,68-tetrathia-8,11,14,17,20,23,26,29,32,35,38,41,47,50,53,56,59,61,64-nonadecazatricyclo[31.26.10.041,45]nonahexacontane-65-carboxamide

Related CIDs

• CID 71597408