Ftc-tw70

Structural Information

Molecular Formula

C₁₀₈H₁₅₆N₃₆O₁₉S₃

SMILES

C1C[C@H]2C(=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)N[C@@H](C(=O)N2C1)CCCCN)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NNC(=S)NC6=CC=C(C=C6)C7C8=C(C=C(C=C8)O)OC9=C7C=CC(=C9)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)CCCCN)CCCNC(=N)N)CC1=CC=C(C=C1)O

InChI

InChI=1S/C108H156N36O19S3/c109-42-6-3-17-73-92(152)136-79(19-5-8-44-111)102(162)144-50-14-25-85(144)101(161)139-81(52-60-28-36-65(146)37-29-60)97(157)135-76(22-11-47-125-105(117)118)91(151)132-74(18-4-7-43-110)94(154)140-83(99(159)130-72(89(112)149)20-9-45-123-103(113)114)57-165-166-58-84(100(160)137-80(51-59-26-34-64(145)35-27-59)96(156)134-75(90(150)131-73)21-10-46-124-104(115)116)141-98(158)82(53-62-56-128-71-16-2-1-15-68(62)71)138-93(153)77(23-12-48-126-106(119)120)133-95(155)78(24-13-49-127-107(121)122)142-143-108(164)129-63-32-30-61(31-33-63)88-69-40-38-66(147)54-86(69)163-87-55-67(148)39-41-70(87)88/h1-2,15-16,26-41,54-56,72-85,88,128,142,145-148H,3-14,17-25,42-53,57-58,109-111H2,(H2,112,149)(H,130,159)(H,131,150)(H,132,151)(H,133,155)(H,134,156)(H,135,157)(H,136,152)(H,137,160)(H,138,153)(H,139,161)(H,140,154)(H,141,158)(H4,113,114,123)(H4,115,116,124)(H4,117,118,125)(H4,119,120,126)(H4,121,122,127)(H2,129,143,164)/t72-,73-,74-,75-,76-,77-,78-,79+,80-,81-,82-,83-,84-,85-/m0/s1

InChIKey

NFFIGTQGDMUYAU-YBLUZXKDSA-N

Compound name

(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3,6,23-tris(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-15-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S)-5-carbamimidamido-2-[2-[[4-(3,6-dihydroxy-9H-xanthen-9-yl)phenyl]carbamothioyl]hydrazinyl]pentanoyl]amino]pentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-9,26-bis(3-carbamimidamidopropyl)-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carboxamide

Related CIDs

• CID 16130424