Bz-arg-arg-cys(x1)-tyr-arg-lys-d-lys-pro-tyr-arg-cit-cys(x1)-arg-oh

Structural Information

Molecular Formula

C₈₄H₁₃₄N₃₂O₁₈S₂

SMILES

C1C[C@H]2C(=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)N[C@@H](C(=O)N2C1)CCCCN)CCCCN)CCCNC(=N)N)CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C4=CC=CC=C4)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CCCNC(=O)N)CCCNC(=N)N)CC5=CC=C(C=C5)O

InChI

InChI=1S/C84H134N32O18S2/c85-34-6-4-17-52-69(123)110-58(18-5-7-35-86)77(131)116-42-14-25-64(116)76(130)113-61(44-48-28-32-51(118)33-29-48)73(127)109-55(21-10-38-100-81(91)92)68(122)107-57(23-12-41-103-84(97)134)71(125)114-62(74(128)111-59(78(132)133)24-13-40-102-83(95)96)45-135-136-46-63(75(129)112-60(43-47-26-30-50(117)31-27-47)72(126)108-54(67(121)105-52)20-9-37-99-80(89)90)115-70(124)56(22-11-39-101-82(93)94)106-66(120)53(19-8-36-98-79(87)88)104-65(119)49-15-2-1-3-16-49/h1-3,15-16,26-33,52-64,117-118H,4-14,17-25,34-46,85-86H2,(H,104,119)(H,105,121)(H,106,120)(H,107,122)(H,108,126)(H,109,127)(H,110,123)(H,111,128)(H,112,129)(H,113,130)(H,114,125)(H,115,124)(H,132,133)(H4,87,88,98)(H4,89,90,99)(H4,91,92,100)(H4,93,94,101)(H4,95,96,102)(H3,97,103,134)/t52-,53-,54-,55-,56-,57-,58+,59-,60-,61-,62-,63-,64-/m0/s1

InChIKey

MMLMPYMVWBWEES-XYDKDJNXSA-N

Compound name

(2S)-2-[[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-3,6-bis(4-aminobutyl)-15-[[(2S)-2-[[(2S)-2-benzamido-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-9,26-bis(3-carbamimidamidopropyl)-23-[3-(carbamoylamino)propyl]-12,29-bis[(4-hydroxyphenyl)methyl]-2,5,8,11,14,22,25,28,31-nonaoxo-17,18-dithia-1,4,7,10,13,21,24,27,30-nonazabicyclo[30.3.0]pentatriacontane-20-carbonyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16204790