Nacartocin

Molecular Formula: C₄₆H₇₁N₁₁O₁₁S

InChI: InChI=1/C46H71N11O11S/c1-6-26(5)39-45(67)52-29(14-15-35(47)58)41(63)54-33(23-36(48)59)42(64)53-30(16-19-69-20-17-38(61)51-32(43(65)56-39)22-28-12-10-27(7-2)11-13-28)46(68)57-18-8-9-34(57)44(66)55-31(21-25(3)4)40(62)50-24-37(49)60/h10-13,25-26,29-34,39H,6-9,14-24H2,1-5H3,(H2,47,58)(H2,48,59)(H2,49,60)(H,50,62)(H,51,61)(H,52,67)(H,53,64)(H,54,63)(H,55,66)(H,56,65)/f/h50-56H,47-49H2

InChIKey: InChIKey=JPYLEKXLHLKVBI-SDKZAKDZCG
SMILES: CCC1=CC=C(C=C1)CC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(CCSCCC(=O)N2)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)C(C)CC

Names:
    Nacartocina [Spanish]
    Nacartocine [French]
    Nacartocinum [Latin]
    Nacartocin [INN]
    Nacartocin
    1-(3-Marcaptopropionsaeure)-2-(3-(4-ethylphenyl)-L-alanin)-6-(L-2-aminobuttersaeure)oxytocin
    1-(3-Mercaptopropionic acid)-2-(3-(p-ethylphenyl)-L-alanine)-6-(L-2-aminobutyric acid)oxytocin
    1-[13-butan-2-yl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-ethylphenyl)methyl]-6,9,12,15,18-pentaoxo-1-thia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[1-(carbamoylmethylcarbamoyl)-3-methyl-butyl]pyrrolidine-2-carboxamide
    77727-10-7

Registries:
    PubChem CID 68587
    PubChem ID 210712