tert-butyl (4R,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-5-methyl-heptanoate

Systemtic Name: tert-butyl (4R,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-5-methyl-heptanoate Openeye Name: tert-butyl (4R,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-5-methyl-heptanoate CAS Name: (4R,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxobutyl]-methylamino]-5-methylheptanoic acid tert-butyl ester IUPAC Name: tert-butyl (4R,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methylbutanoyl]amino]-3-methylbutanoyl]-methylamino]-5-methylheptanoate Traditional Name: (4R,5S)-4-[[(2S)-2-[[(2S)-2-(dimethylamino)-3-methyl-butanoyl]amino]-3-methyl-butanoyl]-methyl-amino]-5-methyl-enanthic acid tert-butyl ester Formula: C25H49N3O4 MolecularWeight: 455.67426

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CCC(=O)OC(C)(C)C)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H49N3O4/c1-13-18(6)19(14-15-20(29)32-25(7,8)9)28(12)24(31)21(16(2)3)26-23(30)22(17(4)5)27(10)11/h16-19,21-22H,13-15H2,1-12H3,(H,26,30)/t18-,19+,21-,22-/m0/s1