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

Structural Information

Molecular Formula

C₇₀H₁₁₉N₃₃O₁₂

SMILES

CC[C@@H](C)[C@H](C(=O)N[C@H](CC1=CC=C(C=C1)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C

InChI

InChI=1S/C70H119N33O12/c1-4-37(2)53(63(115)102-51(34-39-23-25-41(105)26-24-39)61(113)99-46(18-9-29-88-66(76)77)56(108)95-44(54(71)106)16-7-27-86-64(72)73)103-60(112)50(22-13-33-92-70(84)85)98-57(109)47(19-10-30-89-67(78)79)97-58(110)48(20-11-31-90-68(80)81)100-62(114)52(35-40-36-93-43-15-6-5-14-42(40)43)101-59(111)49(21-12-32-91-69(82)83)96-55(107)45(94-38(3)104)17-8-28-87-65(74)75/h5-6,14-15,23-26,36-37,44-53,93,105H,4,7-13,16-22,27-35H2,1-3H3,(H2,71,106)(H,94,104)(H,95,108)(H,96,107)(H,97,110)(H,98,109)(H,99,113)(H,100,114)(H,101,111)(H,102,115)(H,103,112)(H4,72,73,86)(H4,74,75,87)(H4,76,77,88)(H4,78,79,89)(H4,80,81,90)(H4,82,83,91)(H4,84,85,92)/t37-,44-,45-,46-,47-,48-,49-,50-,51-,52-,53-/m1/s1

InChIKey

BQCTZDBBSBJGFA-IBDGBHLYSA-N

Compound name

(2R,3R)-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]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-N-[(2R)-1-[[(2R)-1-[[(2R)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-3-methylpentanamide

Related CIDs

• CID 16186503