Dynorphin a-(1-12)

Structural Information

Molecular Formula

C₆₉H₁₁₄N₂₂O₁₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)N

InChI

InChI=1S/C69H114N22O14/c1-7-41(6)56(64(102)87-49(22-15-31-80-69(76)77)65(103)91-32-16-23-53(91)63(101)86-46(19-11-12-28-70)59(97)89-52(66(104)105)34-40(4)5)90-60(98)48(21-14-30-79-68(74)75)84-58(96)47(20-13-29-78-67(72)73)85-61(99)50(33-39(2)3)88-62(100)51(36-42-17-9-8-10-18-42)83-55(94)38-81-54(93)37-82-57(95)45(71)35-43-24-26-44(92)27-25-43/h8-10,17-18,24-27,39-41,45-53,56,92H,7,11-16,19-23,28-38,70-71H2,1-6H3,(H,81,93)(H,82,95)(H,83,94)(H,84,96)(H,85,99)(H,86,101)(H,87,102)(H,88,100)(H,89,97)(H,90,98)(H,104,105)(H4,72,73,78)(H4,74,75,79)(H4,76,77,80)/t41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,56-/m0/s1

InChIKey

RPMUYLYFDVEEGF-XLWMICEOSA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylpentanoic acid

Related CIDs

• CID 146026583