T(e)-134-oh

Structural Information

Molecular Formula

C₈₇H₁₃₉N₃₃O₁₇S₂

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=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/C87H139N33O17S2/c1-48-24-29-52(14-4-6-34-88)109-71(125)58(18-5-7-35-89)111-72(126)60(20-10-38-104-84(95)96)114-77(131)65(43-50-27-32-54(122)33-28-50)117-80(134)68(120-78(132)66(44-51-45-108-57-17-3-2-15-55(51)57)118-74(128)59(19-9-37-103-83(93)94)110-70(124)56(90)16-8-36-102-82(91)92)47-139-138-46-67(79(133)115-63(81(135)136)23-13-40-106-86(99)100)119-75(129)62(22-12-41-107-87(101)137)112-73(127)61(21-11-39-105-85(97)98)113-76(130)64(116-69(48)123)42-49-25-30-53(121)31-26-49/h2-3,15,17,24-33,45,48,52,56,58-68,108,121-122H,4-14,16,18-23,34-44,46-47,88-90H2,1H3,(H,109,125)(H,110,124)(H,111,126)(H,112,127)(H,113,130)(H,114,131)(H,115,133)(H,116,123)(H,117,134)(H,118,128)(H,119,129)(H,120,132)(H,135,136)(H4,91,92,102)(H4,93,94,103)(H4,95,96,104)(H4,97,98,105)(H4,99,100,106)(H3,101,107,137)/b29-24+/t48-,52-,56+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,68+/m1/s1

InChIKey

HRRYALJZZOBCEX-GKDHGFPPSA-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-(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-carbonyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16204735