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

Structural Information

Molecular Formula

C₇₀H₁₀₇N₂₅O₁₄S

SMILES

CC[C@@H](C)[C@H](C(=O)N)NC(=O)[C@@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC2=CN=CN2)NC(=O)[C@@H](CC3=CC=C(C=C3)O)NC(=O)[C@@H](CCCNC(=N)N)NC(=O)[C@@H](CC4=CC=C(C=C4)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/C70H107N25O14S/c1-5-38(2)56(57(71)100)95-66(109)54(34-42-18-24-46(99)25-19-42)93-61(104)50(13-9-30-84-70(78)79)89-65(108)55(35-43-36-80-37-85-43)94-64(107)53(33-41-16-22-45(98)23-17-41)91-60(103)49(12-8-29-83-69(76)77)88-63(106)52(32-40-14-20-44(97)21-15-40)92-62(105)51(26-31-110-4)90-59(102)48(11-7-28-82-68(74)75)87-58(101)47(86-39(3)96)10-6-27-81-67(72)73/h14-25,36-38,47-56,97-99H,5-13,26-35H2,1-4H3,(H2,71,100)(H,80,85)(H,86,96)(H,87,101)(H,88,106)(H,89,108)(H,90,102)(H,91,103)(H,92,105)(H,93,104)(H,94,107)(H,95,109)(H4,72,73,81)(H4,74,75,82)(H4,76,77,83)(H4,78,79,84)/t38-,47-,48-,49-,50-,51-,52-,53-,54-,55-,56-/m1/s1

InChIKey

WICHQWFISMFVCJ-XZUDYANXSA-N

Compound name

(2R,3R)-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]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanamide

Related CIDs

• CID 16186511