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

Structural Information

Molecular Formula

C₆₇H₁₁₅N₂₉O₁₃S

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](CC2=CC=C(C=C2)O)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C

InChI

InChI=1S/C67H115N29O13S/c1-5-36(2)51(61(109)95-50(35-39-20-24-41(99)25-21-39)60(108)91-44(14-8-29-83-64(73)74)54(102)88-42(52(68)100)12-6-27-81-62(69)70)96-58(106)47(17-11-32-86-67(79)80)90-55(103)46(16-10-31-85-66(77)78)92-59(107)49(34-38-18-22-40(98)23-19-38)94-57(105)48(26-33-110-4)93-56(104)45(15-9-30-84-65(75)76)89-53(101)43(87-37(3)97)13-7-28-82-63(71)72/h18-25,36,42-51,98-99H,5-17,26-35H2,1-4H3,(H2,68,100)(H,87,97)(H,88,102)(H,89,101)(H,90,103)(H,91,108)(H,92,107)(H,93,104)(H,94,105)(H,95,109)(H,96,106)(H4,69,70,81)(H4,71,72,82)(H4,73,74,83)(H4,75,76,84)(H4,77,78,85)(H4,79,80,86)/t36-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m1/s1

InChIKey

RFMQBRJFQWLKAB-XMZFSNOOSA-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]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]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 16186505