Nh2-r-r-w-c-y-r-k-p-d(k)-y-r-k-c-r-nh2

Structural Information

Molecular Formula

C₈₈H₁₄₂N₃₄O₁₆S₂

SMILES

C1C[C@H]2C(=O)N[C@@H](C(=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)N2C1)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)N)CCCCN)CCCNC(=N)N)CC6=CC=C(C=C6)O)CCCCN

InChI

InChI=1S/C88H142N34O16S2/c89-34-6-3-18-58-76(131)120-67(80(135)110-57(70(93)125)21-10-38-105-85(96)97)47-139-140-48-68(121-79(134)66(45-51-46-109-56-17-2-1-15-54(51)56)119-75(130)60(22-11-39-106-86(98)99)111-71(126)55(92)16-9-37-104-84(94)95)81(136)118-65(44-50-28-32-53(124)33-29-50)78(133)114-62(24-13-41-108-88(102)103)73(128)116-63(20-5-8-36-91)83(138)122-42-14-25-69(122)82(137)115-59(19-4-7-35-90)74(129)117-64(43-49-26-30-52(123)31-27-49)77(132)113-61(72(127)112-58)23-12-40-107-87(100)101/h1-2,15,17,26-33,46,55,57-69,109,123-124H,3-14,16,18-25,34-45,47-48,89-92H2,(H2,93,125)(H,110,135)(H,111,126)(H,112,127)(H,113,132)(H,114,133)(H,115,137)(H,116,128)(H,117,129)(H,118,136)(H,119,130)(H,120,131)(H,121,134)(H4,94,95,104)(H4,96,97,105)(H4,98,99,106)(H4,100,101,107)(H4,102,103,108)/t55-,57-,58-,59+,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1

InChIKey

FDFWPPPBYNGTND-UUUKGHPTSA-N

Compound name

(3S,6S,9S,12R,17R,20S,23S,26S,29R,32S)-3,20,29-tris(4-aminobutyl)-N-[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]-12-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6,23-bis(3-carbamimidamidopropyl)-9,26-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,19,22,25,28,31-nonaoxo-14,15-dithia-1,4,7,10,18,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-17-carboxamide

Related CIDs

• CID 16130455