Ac-arg-arg-nal-cys-tyr-arg-lys-dcit-pro-tyr-arg-cit-cys-arg

Structural Information

Molecular Formula

C₉₂H₁₄₂N₃₄O₂₀S₂

SMILES

CC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC2=CC=CC=C2C=C1)C(=O)N[C@H]3CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]4CCCN4C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC3=O)CC5=CC=C(C=C5)O)CCCNC(=N)N)CCCCN)CCCNC(=O)N)CC6=CC=C(C=C6)O)CCCNC(=N)N)CCCNC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

InChI

InChI=1S/C92H142N34O20S2/c1-50(127)113-58(17-6-36-106-86(94)95)72(130)115-62(20-9-39-109-89(100)101)76(134)121-68(47-53-25-30-54-14-2-3-15-55(54)44-53)80(138)125-70-49-148-147-48-69(81(139)120-65(85(143)144)23-12-40-110-90(102)103)124-77(135)63(21-10-41-111-91(104)145)116-74(132)61(19-8-38-108-88(98)99)118-79(137)67(46-52-28-33-57(129)34-29-52)123-83(141)71-24-13-43-126(71)84(142)64(22-11-42-112-92(105)146)119-75(133)59(16-4-5-35-93)114-73(131)60(18-7-37-107-87(96)97)117-78(136)66(122-82(70)140)45-51-26-31-56(128)32-27-51/h2-3,14-15,25-34,44,58-71,128-129H,4-13,16-24,35-43,45-49,93H2,1H3,(H,113,127)(H,114,131)(H,115,130)(H,116,132)(H,117,136)(H,118,137)(H,119,133)(H,120,139)(H,121,134)(H,122,140)(H,123,141)(H,124,135)(H,125,138)(H,143,144)(H4,94,95,106)(H4,96,97,107)(H4,98,99,108)(H4,100,101,109)(H4,102,103,110)(H3,104,111,145)(H3,105,112,146)/t58-,59-,60-,61-,62-,63-,64+,65-,66-,67-,68-,69-,70-,71-/m0/s1

InChIKey

BRDYMCMGAJHWAP-BLXOJAEQSA-N

Compound name

(2S)-2-[[(3R,6S,9S,12S,15R,20R,23S,26S,29S,32S)-15-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-naphthalen-2-ylpropanoyl]amino]-6-(4-aminobutyl)-9,26-bis(3-carbamimidamidopropyl)-3,23-bis[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 16131720