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

Structural Information

Molecular Formula

C₇₂H₁₁₃N₂₇O₁₃S

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](CC2=CC=C(C=C2)O)NC(=O)[C@@H](CCSC)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)C

InChI

InChI=1S/C72H113N27O13S/c1-5-39(2)57(67(112)98-54(35-41-20-24-44(101)25-21-41)64(109)93-50(17-10-31-86-70(78)79)60(105)91-48(58(73)103)15-8-29-84-68(74)75)99-66(111)55(36-42-22-26-45(102)27-23-42)96-63(108)53(28-34-113-4)95-61(106)51(18-11-32-87-71(80)81)94-65(110)56(37-43-38-89-47-14-7-6-13-46(43)47)97-62(107)52(19-12-33-88-72(82)83)92-59(104)49(90-40(3)100)16-9-30-85-69(76)77/h6-7,13-14,20-27,38-39,48-57,89,101-102H,5,8-12,15-19,28-37H2,1-4H3,(H2,73,103)(H,90,100)(H,91,105)(H,92,104)(H,93,109)(H,94,110)(H,95,106)(H,96,108)(H,97,107)(H,98,112)(H,99,111)(H4,74,75,84)(H4,76,77,85)(H4,78,79,86)(H4,80,81,87)(H4,82,83,88)/t39-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-/m1/s1

InChIKey

GOBCVYNLONCPFJ-MRKFDOKNSA-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]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]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 16186509