Tm(e)-134-oh

Structural Information

Molecular Formula

C₈₉H₁₄₁N₃₃O₁₇

SMILES

C[C@@H]1/C=C/[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C/C=C/C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC2=CC=C(C=C2)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)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)CC5=CC=C(C=C5)O)CCCNC(=N)N)CCCCN)CCCCN

InChI

InChI=1S/C89H141N33O17/c1-50-28-33-54(16-6-8-38-90)111-73(127)60(22-7-9-39-91)113-75(129)65(24-12-42-106-86(97)98)118-81(135)69(47-52-31-36-56(124)37-32-52)121-78(132)62(116-82(136)70(48-53-49-110-59-19-3-2-17-57(53)59)122-79(133)63(23-11-41-105-85(95)96)112-72(126)58(92)18-10-40-104-84(93)94)21-5-4-20-61(77(131)119-67(83(137)138)27-15-44-108-88(101)102)114-74(128)64(26-14-45-109-89(103)139)115-76(130)66(25-13-43-107-87(99)100)117-80(134)68(120-71(50)125)46-51-29-34-55(123)35-30-51/h2-5,17,19,28-37,49-50,54,58,60-70,110,123-124H,6-16,18,20-27,38-48,90-92H2,1H3,(H,111,127)(H,112,126)(H,113,129)(H,114,128)(H,115,130)(H,116,136)(H,117,134)(H,118,135)(H,119,131)(H,120,125)(H,121,132)(H,122,133)(H,137,138)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H3,103,109,139)/b5-4+,33-28+/t50-,54-,58+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+/m1/s1

InChIKey

AXESGIVRCDCFJO-FRJXXGLFSA-N

Compound name

(2S)-2-[[(2S,5S,8S,11R,12E,14R,17S,20S,23S,26S,28E,31S)-8,11-bis(4-aminobutyl)-31-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5,20-bis(3-carbamimidamidopropyl)-23-[3-(carbamoylamino)propyl]-2,17-bis[(4-hydroxyphenyl)methyl]-14-methyl-3,6,9,15,18,21,24,32-octaoxo-1,4,7,10,16,19,22,25-octazacyclodotriaconta-12,28-diene-26-carbonyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16204742