Nh2-rggrlcycrrrfcvcv-nh2

Structural Information

Molecular Formula

C₈₀H₁₃₂N₃₂O₁₇S₄

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)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)CNC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C80H132N32O17S4/c1-40(2)31-51(104-64(118)47(18-11-27-94-77(85)86)100-59(115)35-98-58(114)34-99-63(117)46(81)17-10-26-93-76(83)84)68(122)107-55-37-131-133-39-57(73(127)111-60(41(3)4)62(82)116)110-75(129)61(42(5)6)112-74(128)56-38-132-130-36-54(108-70(124)53(106-72(55)126)33-44-22-24-45(113)25-23-44)71(125)103-49(20-13-29-96-79(89)90)66(120)101-48(19-12-28-95-78(87)88)65(119)102-50(21-14-30-97-80(91)92)67(121)105-52(69(123)109-56)32-43-15-8-7-9-16-43/h7-9,15-16,22-25,40-42,46-57,60-61,113H,10-14,17-21,26-39,81H2,1-6H3,(H2,82,116)(H,98,114)(H,99,117)(H,100,115)(H,101,120)(H,102,119)(H,103,125)(H,104,118)(H,105,121)(H,106,126)(H,107,122)(H,108,124)(H,109,123)(H,110,129)(H,111,127)(H,112,128)(H4,83,84,93)(H4,85,86,94)(H4,87,88,95)(H4,89,90,96)(H4,91,92,97)/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,60-,61-/m0/s1

InChIKey

VBHMSVDQSHZRNZ-HGCYLXBDSA-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-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 16130835