Protegrin-5

Structural Information

Molecular Formula

C₈₇H₁₄₂N₃₄O₁₉S₄

SMILES

CC(C)C[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H]2CSSC[C@@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC4=CC=CC=C4)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@@H](NC1=O)CC5=CC=C(C=C5)O)C(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C87H142N34O19S4/c1-44(2)34-55(112-70(128)52(20-12-30-102-85(94)95)109-64(124)38-105-63(123)37-106-69(127)50(88)18-10-28-100-83(90)91)72(130)115-59-41-142-144-43-61(78(136)119-66(45(3)4)80(138)107-39-65(125)108-51(68(89)126)19-11-29-101-84(92)93)118-81(139)67(46(5)6)120-77(135)60-42-143-141-40-58(116-74(132)57(114-76(59)134)36-48-24-26-49(122)27-25-48)75(133)111-54(22-14-32-104-87(98)99)82(140)121-33-15-23-62(121)79(137)110-53(21-13-31-103-86(96)97)71(129)113-56(73(131)117-60)35-47-16-8-7-9-17-47/h7-9,16-17,24-27,44-46,50-62,66-67,122H,10-15,18-23,28-43,88H2,1-6H3,(H2,89,126)(H,105,123)(H,106,127)(H,107,138)(H,108,125)(H,109,124)(H,110,137)(H,111,133)(H,112,128)(H,113,129)(H,114,134)(H,115,130)(H,116,132)(H,117,131)(H,118,139)(H,119,136)(H,120,135)(H4,90,91,100)(H4,92,93,101)(H4,94,95,102)(H4,96,97,103)(H4,98,99,104)/t50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,66-,67-/m0/s1

InChIKey

JCKSZPLZVLHFMU-UEDJBKKJSA-N

Compound name

(1R,4S,10S,13S,16S,19R,22S,25R,30R,33S)-N-[(2S)-1-[[2-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]-30-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]acetyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-16-benzyl-4,13-bis(3-carbamimidamidopropyl)-33-[(4-hydroxyphenyl)methyl]-2,5,11,14,17,20,23,31,34-nonaoxo-22-propan-2-yl-27,28,37,38-tetrathia-3,6,12,15,18,21,24,32,35-nonazatricyclo[17.16.4.06,10]nonatriacontane-25-carboxamide

Related CIDs

• CID 16130830