T(e)-140-oh

Structural Information

Molecular Formula

C₈₉H₁₄₀N₃₂O₁₇S₂

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](CSSC[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=CC4=CC=CC=C4C=C3)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/C89H140N32O17S2/c1-50-24-31-56(16-4-6-36-90)110-73(126)60(18-5-7-37-91)112-74(127)62(20-10-40-106-86(97)98)115-79(132)67(46-52-28-34-58(123)35-29-52)119-82(135)70(121-80(133)68(47-53-25-30-54-14-2-3-15-55(54)44-53)118-76(129)61(19-9-39-105-85(95)96)111-72(125)59(92)17-8-38-104-84(93)94)49-140-139-48-69(81(134)116-65(83(136)137)23-13-42-108-88(101)102)120-77(130)64(22-12-43-109-89(103)138)113-75(128)63(21-11-41-107-87(99)100)114-78(131)66(117-71(50)124)45-51-26-32-57(122)33-27-51/h2-3,14-15,24-35,44,50,56,59-70,122-123H,4-13,16-23,36-43,45-49,90-92H2,1H3,(H,110,126)(H,111,125)(H,112,127)(H,113,128)(H,114,131)(H,115,132)(H,116,134)(H,117,124)(H,118,129)(H,119,135)(H,120,130)(H,121,133)(H,136,137)(H4,93,94,104)(H4,95,96,105)(H4,97,98,106)(H4,99,100,107)(H4,101,102,108)(H3,103,109,138)/b31-24+/t50-,56-,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+/m1/s1

InChIKey

OIPDSEWCUJBWPS-WEXHAOMTSA-N

Compound name

(2S)-2-[[(4R,7S,10S,13S,16R,17E,19R,22S,25S,28S,31R)-19,22-bis(4-aminobutyl)-31-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-10,25-bis(3-carbamimidamidopropyl)-7-[3-(carbamoylamino)propyl]-13,28-bis[(4-hydroxyphenyl)methyl]-16-methyl-6,9,12,15,21,24,27,30-octaoxo-1,2-dithia-5,8,11,14,20,23,26,29-octazacyclodotriacont-17-ene-4-carbonyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16204736