Nh2-rrwcyrkaykgyayrkcr-conh2

Structural Information

Molecular Formula

C₁₀₉H₁₆₆N₃₈O₂₂S₂

SMILES

C[C@H]1C(=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](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCCN)CCCNC(=N)N)CC2=CC=C(C=C2)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)CCCCN)CCCNC(=N)N)CC5=CC=C(C=C5)O)C)CC6=CC=C(C=C6)O)CCCCN)CC7=CC=C(C=C7)O

InChI

InChI=1S/C109H166N38O22S2/c1-59-89(154)142-81(51-62-28-36-67(149)37-29-62)99(164)137-74(19-5-8-42-110)92(157)131-56-87(152)134-80(50-61-26-34-66(148)35-27-61)98(163)133-60(2)90(155)143-82(52-63-30-38-68(150)39-31-63)100(165)140-79(25-15-49-129-109(123)124)95(160)139-76(21-7-10-44-112)97(162)146-85(103(168)135-73(88(114)153)22-12-46-126-106(117)118)57-170-171-58-86(104(169)144-83(53-64-32-40-69(151)41-33-64)101(166)141-78(24-14-48-128-108(121)122)94(159)138-75(93(158)132-59)20-6-9-43-111)147-102(167)84(54-65-55-130-72-18-4-3-16-70(65)72)145-96(161)77(23-13-47-127-107(119)120)136-91(156)71(113)17-11-45-125-105(115)116/h3-4,16,18,26-41,55,59-60,71,73-86,130,148-151H,5-15,17,19-25,42-54,56-58,110-113H2,1-2H3,(H2,114,153)(H,131,157)(H,132,158)(H,133,163)(H,134,152)(H,135,168)(H,136,156)(H,137,164)(H,138,159)(H,139,160)(H,140,165)(H,141,166)(H,142,154)(H,143,155)(H,144,169)(H,145,161)(H,146,162)(H,147,167)(H4,115,116,125)(H4,117,118,126)(H4,119,120,127)(H4,121,122,128)(H4,123,124,129)/t59-,60-,71-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-/m0/s1

InChIKey

KJSODRRDDQUBTF-JTMRSUIESA-N

Compound name

(4R,7S,10S,13S,16S,19S,25S,28S,31S,34S,37S,40S,43R)-7,25,34-tris(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-43-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-10,37-bis(3-carbamimidamidopropyl)-13,19,28,40-tetrakis[(4-hydroxyphenyl)methyl]-16,31-dimethyl-6,9,12,15,18,21,24,27,30,33,36,39,42-tridecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41-tridecazacyclotetratetracontane-4-carboxamide

Related CIDs

• CID 16197325