T132

Structural Information

Molecular Formula

C₈₈H₁₄₁N₃₃O₁₇S₂

SMILES

C1C[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N2C1)CCCCN)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CCCCN)CCCNC(=N)N)CC6=CC=C(C=C6)O

InChI

InChI=1S/C88H141N33O17S2/c89-34-6-3-18-57-73(127)114-62(20-5-8-36-91)82(136)121-42-14-25-69(121)81(135)118-65(44-50-28-32-53(123)33-29-50)77(131)113-61(23-12-40-106-87(99)100)72(126)111-58(19-4-7-35-90)75(129)119-67(79(133)115-63(83(137)138)24-13-41-107-88(101)102)47-139-140-48-68(80(134)116-64(43-49-26-30-52(122)31-27-49)76(130)112-60(71(125)110-57)22-11-39-105-86(97)98)120-78(132)66(45-51-46-108-56-17-2-1-15-54(51)56)117-74(128)59(21-10-38-104-85(95)96)109-70(124)55(92)16-9-37-103-84(93)94/h1-2,15,17,26-33,46,55,57-69,108,122-123H,3-14,16,18-25,34-45,47-48,89-92H2,(H,109,124)(H,110,125)(H,111,126)(H,112,130)(H,113,131)(H,114,127)(H,115,133)(H,116,134)(H,117,128)(H,118,135)(H,119,129)(H,120,132)(H,137,138)(H4,93,94,103)(H4,95,96,104)(H4,97,98,105)(H4,99,100,106)(H4,101,102,107)/t55-,57-,58-,59-,60-,61-,62+,63-,64-,65-,66-,67-,68-,69-/m0/s1

InChIKey

KGYRZDSWOJRDOU-QLUOIZOVSA-N

Compound name

(2S)-5-carbamimidamido-2-[[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3,6,23-tris(4-aminobutyl)-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-9,26-bis(3-carbamimidamidopropyl)-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carbonyl]amino]pentanoic acid

Related CIDs

• CID 16197443