ethyl (E)-4-[[2-[(1-butan-2-ylpiperidin-2-yl)carbonylamino]-3-methyl-butanoyl]-methyl-amino]-2,5-dimethyl-hept-2-enoate

Systemtic Name: ethyl (E)-4-[[2-[(1-butan-2-ylpiperidin-2-yl)carbonylamino]-3-methyl-butanoyl]-methyl-amino]-2,5-dimethyl-hept-2-enoate Openeye Name: ethyl (E)-2,5-dimethyl-4-[methyl-[3-methyl-2-[(1-sec-butylpiperidine-2-carbonyl)amino]butanoyl]amino]hept-2-enoate CAS Name: (E)-4-[[2-[[(1-butan-2-yl-2-piperidinyl)-oxomethyl]amino]-3-methyl-1-oxobutyl]-methylamino]-2,5-dimethyl-2-heptenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[[2-[(1-butan-2-ylpiperidine-2-carbonyl)amino]-3-methylbutanoyl]-methylamino]-2,5-dimethylhept-2-enoate Traditional Name: (E)-2,5-dimethyl-4-[methyl-[3-methyl-2-[(1-sec-butylpipecoloyl)amino]butanoyl]amino]hept-2-enoic acid ethyl ester Formula: C27H49N3O4 MolecularWeight: 479.69566

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C=C(C)C(=O)OCC)N(C)C(=O)C(C(C)C)NC(=O)C1CCCCN1C(C)CC

Isomeric SMILES

CCC(C)C(/C=C(\C)/C(=O)OCC)N(C)C(=O)C(C(C)C)NC(=O)C1CCCCN1C(C)CC

InChI

InChI=1S/C27H49N3O4/c1-10-19(6)23(17-20(7)27(33)34-12-3)29(9)26(32)24(18(4)5)28-25(31)22-15-13-14-16-30(22)21(8)11-2/h17-19,21-24H,10-16H2,1-9H3,(H,28,31)/b20-17+