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

Systemtic Name: tert-butyl (2S)-4-methyl-2-[methyl-[(2S,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanoyl]amino]pentanoate Openeye Name: tert-butyl (2S)-2-[[(2S,4R)-2-(tert-butoxycarbonylamino)-4-methyl-octanoyl]-methyl-amino]-4-methyl-pentanoate CAS Name: (2S)-4-methyl-2-[methyl-[(2S,4R)-4-methyl-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxooctyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-4-methyl-2-[methyl-[(2S,4R)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]octanoyl]amino]pentanoate Traditional Name: (2S)-2-[[(2S,4R)-2-(tert-butoxycarbonylamino)-4-methyl-octanoyl]-methyl-amino]-4-methyl-valeric acid tert-butyl ester Formula: C25H48N2O5 MolecularWeight: 456.65902

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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)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H48N2O5/c1-12-13-14-18(4)16-19(26-23(30)32-25(8,9)10)21(28)27(11)20(15-17(2)3)22(29)31-24(5,6)7/h17-20H,12-16H2,1-11H3,(H,26,30)/t18-,19+,20+/m1/s1