Acetyl-d(arg-arg-trp-arg-met-tyr-trp-arg-arg-arg)-nh2

Structural Information

Molecular Formula

C₇₄H₁₁₅N₃₁O₁₂S

SMILES

CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCSC)C(=O)N[C@H](CC3=CC=C(C=C3)O)C(=O)N[C@H](CC4=CNC5=CC=CC=C54)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N

InChI

InChI=1S/C74H115N31O12S/c1-40(106)96-50(18-8-29-89-70(78)79)60(109)98-54(22-12-33-93-74(86)87)64(113)104-57(36-42-38-94-47-15-5-3-13-45(42)47)67(116)101-53(21-11-32-92-73(84)85)63(112)102-55(27-34-118-2)65(114)103-56(35-41-23-25-44(107)26-24-41)66(115)105-58(37-43-39-95-48-16-6-4-14-46(43)48)68(117)100-52(20-10-31-91-72(82)83)62(111)99-51(19-9-30-90-71(80)81)61(110)97-49(59(75)108)17-7-28-88-69(76)77/h3-6,13-16,23-26,38-39,49-58,94-95,107H,7-12,17-22,27-37H2,1-2H3,(H2,75,108)(H,96,106)(H,97,110)(H,98,109)(H,99,111)(H,100,117)(H,101,116)(H,102,112)(H,103,114)(H,104,113)(H,105,115)(H4,76,77,88)(H4,78,79,89)(H4,80,81,90)(H4,82,83,91)(H4,84,85,92)(H4,86,87,93)/t49-,50-,51-,52-,53-,54-,55-,56-,57-,58-/m1/s1

InChIKey

PJJKUTDYXNUSLK-KEEFZBRHSA-N

Compound name

(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanamide

Related CIDs

• CID 16186510