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

Structural Information

Molecular Formula

C₆₉H₁₀₇N₂₇O₁₃S

SMILES

CC(=O)N[C@H](CO)C(=O)N[C@H](CC1=CC=CC=C1)C(=O)N[C@H](CCSC)C(=O)N[C@H](CC2=CC=C(C=C2)O)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@H](CC3=CNC4=CC=CC=C43)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/C69H107N27O13S/c1-38(98)87-54(37-97)64(109)95-51(33-39-13-4-3-5-14-39)62(107)93-50(26-32-110-2)60(105)94-52(34-40-22-24-42(99)25-23-40)61(106)91-47(19-10-29-83-67(75)76)57(102)90-49(21-12-31-85-69(79)80)59(104)96-53(35-41-36-86-44-16-7-6-15-43(41)44)63(108)92-48(20-11-30-84-68(77)78)58(103)89-46(18-9-28-82-66(73)74)56(101)88-45(55(70)100)17-8-27-81-65(71)72/h3-7,13-16,22-25,36,45-54,86,97,99H,8-12,17-21,26-35,37H2,1-2H3,(H2,70,100)(H,87,98)(H,88,101)(H,89,103)(H,90,102)(H,91,106)(H,92,108)(H,93,107)(H,94,105)(H,95,109)(H,96,104)(H4,71,72,81)(H4,73,74,82)(H4,75,76,83)(H4,77,78,84)(H4,79,80,85)/t45-,46-,47-,48-,49-,50-,51-,52-,53-,54-/m1/s1

InChIKey

YJMBHVSGMIAKSJ-DELBHBGMSA-N

Compound name

(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]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 16186508