Protegrin 2

Structural Information

Molecular Formula

C₈₁H₁₃₄N₃₂O₁₇S₄

SMILES

CC[C@H](C)[C@H]1C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H]2CSSC[C@@H](C(=O)N1)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)N)C(=O)N[C@@H](C(C)C)C(=O)N

InChI

InChI=1S/C81H134N32O17S4/c1-7-43(6)62-76(130)111-58(74(128)112-61(42(4)5)63(83)117)40-134-132-38-56(108-69(123)52(32-41(2)3)105-65(119)48(19-12-28-95-78(86)87)101-60(116)36-99-59(115)35-100-64(118)47(82)18-11-27-94-77(84)85)73(127)107-54(34-45-23-25-46(114)26-24-45)71(125)109-55-37-131-133-39-57(75(129)113-62)110-70(124)53(33-44-16-9-8-10-17-44)106-68(122)51(22-15-31-98-81(92)93)103-66(120)49(20-13-29-96-79(88)89)102-67(121)50(104-72(55)126)21-14-30-97-80(90)91/h8-10,16-17,23-26,41-43,47-58,61-62,114H,7,11-15,18-22,27-40,82H2,1-6H3,(H2,83,117)(H,99,115)(H,100,118)(H,101,116)(H,102,121)(H,103,120)(H,104,126)(H,105,119)(H,106,122)(H,107,127)(H,108,123)(H,109,125)(H,110,124)(H,111,130)(H,112,128)(H,113,129)(H4,84,85,94)(H4,86,87,95)(H4,88,89,96)(H4,90,91,97)(H4,92,93,98)/t43-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,61-,62-/m0/s1

InChIKey

WVMOUHNEDGUTQU-GPOLKXGASA-N

Compound name

(1R,4S,7R,12R,15S,18R,21S,24S,27S,30S)-7-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]acetyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-N-[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]-21-benzyl-15-[(2S)-butan-2-yl]-24,27,30-tris(3-carbamimidamidopropyl)-4-[(4-hydroxyphenyl)methyl]-3,6,14,17,20,23,26,29,32-nonaoxo-9,10,34,35-tetrathia-2,5,13,16,19,22,25,28,31-nonazabicyclo[16.14.4]hexatriacontane-12-carboxamide

Related CIDs

• CID 16130827