T(e)-140-nh2

Structural Information

Molecular Formula

C₈₉H₁₄₁N₃₃O₁₆S₂

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)N)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/C89H141N33O16S2/c1-50-24-31-56(16-4-6-36-90)111-74(128)61(18-5-7-37-91)114-75(129)63(21-11-41-108-87(100)101)117-80(134)67(46-52-28-34-58(124)35-29-52)120-83(137)70(122-81(135)68(47-53-25-30-54-14-2-3-15-55(54)44-53)119-77(131)62(20-10-40-107-86(98)99)113-73(127)59(92)17-8-38-105-84(94)95)49-140-139-48-69(82(136)112-60(71(93)125)19-9-39-106-85(96)97)121-78(132)65(23-13-43-110-89(104)138)115-76(130)64(22-12-42-109-88(102)103)116-79(133)66(118-72(50)126)45-51-26-32-57(123)33-27-51/h2-3,14-15,24-35,44,50,56,59-70,123-124H,4-13,16-23,36-43,45-49,90-92H2,1H3,(H2,93,125)(H,111,128)(H,112,136)(H,113,127)(H,114,129)(H,115,130)(H,116,133)(H,117,134)(H,118,126)(H,119,131)(H,120,137)(H,121,132)(H,122,135)(H4,94,95,105)(H4,96,97,106)(H4,98,99,107)(H4,100,101,108)(H4,102,103,109)(H3,104,110,138)/b31-24+/t50-,56-,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+,69+,70+/m1/s1

InChIKey

ZGZJTXGRYISTHO-WEXHAOMTSA-N

Compound name

(4R,7S,10S,13S,16R,17E,19R,22S,25S,28S,31R)-19,22-bis(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-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-carboxamide

Related CIDs

• CID 16204739