Protegrin-3 (rggglcycrrrfcvcvgr-nh2)

Structural Information

Molecular Formula

C₈₄H₁₃₈N₃₄O₁₉S₄

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)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC3=CC=CC=C3)CCCNC(=N)N)CCCNC(=N)N)CCCNC(=N)N)NC(=O)[C@@H](NC1=O)CC4=CC=C(C=C4)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)CNC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C84H138N34O19S4/c1-42(2)31-53(107-62(122)36-103-60(120)34-102-61(121)35-104-67(125)48(85)17-10-26-97-80(87)88)71(129)113-57-39-139-141-41-59(77(135)117-64(43(3)4)78(136)105-37-63(123)106-49(66(86)124)18-11-27-98-81(89)90)116-79(137)65(44(5)6)118-76(134)58-40-140-138-38-56(114-73(131)55(112-75(57)133)33-46-22-24-47(119)25-23-46)74(132)110-51(20-13-29-100-83(93)94)69(127)108-50(19-12-28-99-82(91)92)68(126)109-52(21-14-30-101-84(95)96)70(128)111-54(72(130)115-58)32-45-15-8-7-9-16-45/h7-9,15-16,22-25,42-44,48-59,64-65,119H,10-14,17-21,26-41,85H2,1-6H3,(H2,86,124)(H,102,121)(H,103,120)(H,104,125)(H,105,136)(H,106,123)(H,107,122)(H,108,127)(H,109,126)(H,110,132)(H,111,128)(H,112,133)(H,113,129)(H,114,131)(H,115,130)(H,116,137)(H,117,135)(H,118,134)(H4,87,88,97)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)(H4,95,96,101)/t48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,64-,65-/m0/s1

InChIKey

KZAZIWVZJLUFCN-DPAFCJMGSA-N

Compound name

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

Related CIDs

• CID 16130828