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

Systemtic Name: methyl (2S)-2-[[(2S,3R)-3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl]amino]-3-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-butanoyl]amino]-3-methyl-pentanoate CAS Name: (2S)-2-[[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-1-oxobutyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]-3-methylpentanoate Traditional Name: (2S)-2-[[(2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-butanoyl]amino]-3-methyl-valeric acid methyl ester Formula: C17H32N2O4 MolecularWeight: 328.44698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H32N2O4/c1-4-11(2)14(17(22)23-3)19-16(21)15(20)13(18)10-12-8-6-5-7-9-12/h11-15,20H,4-10,18H2,1-3H3,(H,19,21)/t11?,13-,14+,15+/m1/s1