[4-[2-[[1-(aminomethyl)piperidin-4-yl]-methyl-carbamoyl]-3-hexanoylimino-pyrrolidin-1-yl]-4-oxidanylidene-butyl] hexanoate

Systemtic Name: [4-[2-[[1-(aminomethyl)piperidin-4-yl]-methyl-carbamoyl]-3-hexanoylimino-pyrrolidin-1-yl]-4-oxidanylidene-butyl] hexanoate Openeye Name: [4-[2-[[1-(aminomethyl)-4-piperidyl]-methyl-carbamoyl]-3-hexanoylimino-pyrrolidin-1-yl]-4-oxo-butyl] hexanoate CAS Name: hexanoic acid [4-[2-[[[1-(aminomethyl)-4-piperidinyl]-methylamino]-oxomethyl]-3-(1-oxohexylimino)-1-pyrrolidinyl]-4-oxobutyl] ester IUPAC Name: [4-[2-[[1-(aminomethyl)piperidin-4-yl]-methylcarbamoyl]-3-hexanoyliminopyrrolidin-1-yl]-4-oxobutyl] hexanoate Traditional Name: hexanoic acid [4-[2-[[1-(aminomethyl)-4-piperidyl]-methyl-carbamoyl]-3-caproylimino-pyrrolidino]-4-keto-butyl] ester Formula: C28H49N5O5 MolecularWeight: 535.71916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)N=C1CCN(C1C(=O)N(C)C2CCN(CC2)CN)C(=O)CCCOC(=O)CCCCC

Isomeric SMILES

CCCCCC(=O)N=C1CCN(C1C(=O)N(C)C2CCN(CC2)CN)C(=O)CCCOC(=O)CCCCC

InChI

InChI=1S/C28H49N5O5/c1-4-6-8-11-24(34)30-23-16-19-33(25(35)12-10-20-38-26(36)13-9-7-5-2)27(23)28(37)31(3)22-14-17-32(21-29)18-15-22/h22,27H,4-21,29H2,1-3H3