Ebiratide

Molecular Formula: C₄₈H₇₃N₁₁O₁₀S

InChI: InChI=1/C48H73N11O10S/c1-70(68,69)27-23-36(51)43(62)55-38(21-22-42(60)61)46(65)59-41(30-35-31-52-32-54-35)48(67)58-40(29-34-18-10-7-11-19-34)47(66)56-37(20-12-14-25-50)45(64)57-39(28-33-16-8-6-9-17-33)44(63)53-26-15-5-3-2-4-13-24-49/h6-11,16-19,31-32,36-41H,2-5,12-15,20-30,49-51H2,1H3,(H,52,54)(H,53,63)(H,55,62)(H,56,66)(H,57,64)(H,58,67)(H,59,65)(H,60,61)/t36-,37+,38-,39-,40-,41-/m1/s1/f/h53-60H

InChIKey: InChIKey=CLFHFIGNDKHDPG-LDZNBJDQDS
SMILES: CS(=O)(=O)CCC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCCN)C(=O)NC(CC3=CC=CC=C3)C(=O)NCCCCCCCCN)N

Names:
    Ebiratida [Spanish]
    Ebiratide [INN]
    Ebiratide
    Ebiratidum [Latin]
    L-Methionyl-L-glutamyl-L-histidyl-L-phenylalanyl-D-lysyl-N-(8-aminooctyl)-L-phenylalaninamide S,S-dioxide
    (4S)-4-[[(1R)-1-[[(1S)-1-[[(1R)-5-amino-1-[[(1S)-1-(8-aminooctylcarbamoyl)-2-phenyl-ethyl]carbamoyl]pentyl]carbamoyl]-2-phenyl-ethyl]carbamoyl]-2-(3H-imidazol-4-yl)ethyl]carbamoyl]-4-[[(2R)-2-amino-4-methylsulfonyl-butanoyl]amino]butanoic acid
    105250-86-0

Registries:
    PubChem CID 72123
    PubChem ID 214381