tert-butyl (2S)-2-[[(2S,4R)-2-azanyl-4-methyl-octanoyl]-methyl-amino]-4-methyl-pentanoate

Systemtic Name: tert-butyl (2S)-2-[[(2S,4R)-2-azanyl-4-methyl-octanoyl]-methyl-amino]-4-methyl-pentanoate Openeye Name: tert-butyl (2S)-2-[[(2S,4R)-2-amino-4-methyl-octanoyl]-methyl-amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S,4R)-2-amino-4-methyl-1-oxooctyl]-methylamino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2S,4R)-2-amino-4-methyloctanoyl]-methylamino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S,4R)-2-amino-4-methyl-octanoyl]-methyl-amino]-4-methyl-valeric acid tert-butyl ester Formula: C20H40N2O3 MolecularWeight: 356.5432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)CC(C(=O)N(C)C(CC(C)C)C(=O)OC(C)(C)C)N

Isomeric SMILES

CCCC[C@@H](C)C[C@@H](C(=O)N(C)[C@@H](CC(C)C)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C20H40N2O3/c1-9-10-11-15(4)13-16(21)18(23)22(8)17(12-14(2)3)19(24)25-20(5,6)7/h14-17H,9-13,21H2,1-8H3/t15-,16+,17+/m1/s1