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

Structural Information

Molecular Formula

C₆₉H₁₁₇N₃₃O₁₂S

SMILES

CC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCSC)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[C@H](CC2=CNC3=CC=CC=C32)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/C69H117N33O12S/c1-37(103)93-44(15-6-27-86-64(73)74)54(106)95-46(17-8-29-88-66(77)78)58(110)100-50(25-33-115-2)60(112)101-51(34-38-21-23-40(104)24-22-38)61(113)98-47(18-9-30-89-67(79)80)56(108)97-49(20-11-32-91-69(83)84)59(111)102-52(35-39-36-92-42-13-4-3-12-41(39)42)62(114)99-48(19-10-31-90-68(81)82)57(109)96-45(16-7-28-87-65(75)76)55(107)94-43(53(70)105)14-5-26-85-63(71)72/h3-4,12-13,21-24,36,43-52,92,104H,5-11,14-20,25-35H2,1-2H3,(H2,70,105)(H,93,103)(H,94,107)(H,95,106)(H,96,109)(H,97,108)(H,98,113)(H,99,114)(H,100,110)(H,101,112)(H,102,111)(H4,71,72,85)(H4,73,74,86)(H4,75,76,87)(H4,77,78,88)(H4,79,80,89)(H4,81,82,90)(H4,83,84,91)/t43-,44-,45-,46-,47-,48-,49-,50-,51-,52-/m1/s1

InChIKey

IXEQWZXYSWAYEN-NVJFMJPGSA-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]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanamide

Related CIDs

• CID 16186506