4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]-N-[5-[[5-[[5-(2-carbamimidoylethylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide hydrochloride

Molecular Formula: C41H51Cl3N12O5


InChI: InChI=1/C41H50Cl2N12O5.ClH/c1-51-23-28(19-32(51)38(57)46-15-12-36(44)45)48-40(59)34-21-30(25-53(34)3)50-41(60)35-20-29(24-54(35)4)49-39(58)33-18-27(22-52(33)2)47-37(56)7-5-6-26-8-10-31(11-9-26)55(16-13-42)17-14-43;/h8-11,18-25H,5-7,12-17H2,1-4H3,(H3,44,45)(H,46,57)(H,47,56)(H,48,59)(H,49,58)(H,50,60);1H/f/h44,46-50H,45H2;/b44-36-;

InChIKey: InChIKey=HFZXPAXHZFTMIR-GSVQWBGGDP
SMILES: CN1C=C(C=C1C(=O)NC2=CN(C(=C2)C(=O)NC3=CN(C(=C3)C(=O)NC4=CN(C(=C4)C(=O)NCCC(=N)N)C)C)C)NC(=O)CCCC5=CC=C(C=C5)N(CCCl)CCCl.Cl

Names:
    4-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoylamino]-N-[5-[[5-[[5-(2-carbamimidoylethylcarbamoyl)-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]carbamoyl]-1-methyl-pyrrol-3-yl]-1-methyl-pyrrole-2-carboxamide hydrochloride

Registries:
    PubChem CID 189867
    PubChem ID 10261085