T(e)-134-nh2

Structural Information

Molecular Formula

C₈₇H₁₄₀N₃₄O₁₆S₂

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=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/C87H140N34O16S2/c1-48-24-29-52(14-4-6-34-88)110-72(127)59(18-5-7-35-89)113-73(128)61(21-11-39-106-85(98)99)116-78(133)65(43-50-27-32-54(123)33-28-50)118-81(136)68(121-79(134)66(44-51-45-109-57-17-3-2-15-55(51)57)119-75(130)60(20-10-38-105-84(96)97)112-71(126)56(90)16-8-36-103-82(92)93)47-139-138-46-67(80(135)111-58(69(91)124)19-9-37-104-83(94)95)120-76(131)63(23-13-41-108-87(102)137)114-74(129)62(22-12-40-107-86(100)101)115-77(132)64(117-70(48)125)42-49-25-30-53(122)31-26-49/h2-3,15,17,24-33,45,48,52,56,58-68,109,122-123H,4-14,16,18-23,34-44,46-47,88-90H2,1H3,(H2,91,124)(H,110,127)(H,111,135)(H,112,126)(H,113,128)(H,114,129)(H,115,132)(H,116,133)(H,117,125)(H,118,136)(H,119,130)(H,120,131)(H,121,134)(H4,92,93,103)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H3,102,108,137)/b29-24+/t48-,52-,56+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+/m1/s1

InChIKey

YMFZFWOWUFQXAV-GKDHGFPPSA-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-(1H-indol-3-yl)propanoyl]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 16204737