methyl (2S)-2-[[(2S,3R)-3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S,3R)-3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-butanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-1-oxobutyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-butanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C16H30N2O4 MolecularWeight: 314.4204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C(C(CC1CCCCC1)N)O

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)[C@H]([C@@H](CC1CCCCC1)N)O

InChI

InChI=1S/C16H30N2O4/c1-10(2)13(16(21)22-3)18-15(20)14(19)12(17)9-11-7-5-4-6-8-11/h10-14,19H,4-9,17H2,1-3H3,(H,18,20)/t12-,13+,14+/m1/s1