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

Systemtic Name: tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]heptanoate Openeye Name: tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]heptanoate CAS Name: (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-[(3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]heptanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R,4S,5S)-3-methoxy-5-methyl-4-[methyl-[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]heptanoate Traditional Name: (3R,4S,5S)-4-[[(2S)-2-(isovalerylamino)-3-methyl-butanoyl]-methyl-amino]-3-methoxy-5-methyl-enanthic acid tert-butyl ester Formula: C24H46N2O5 MolecularWeight: 442.63244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H46N2O5/c1-12-17(6)22(18(30-11)14-20(28)31-24(7,8)9)26(10)23(29)21(16(4)5)25-19(27)13-15(2)3/h15-18,21-22H,12-14H2,1-11H3,(H,25,27)/t17-,18+,21-,22-/m0/s1