[(2S)-2,6-bis(azanyl)-5-oxidanyl-hexanoyl] 4-methylbenzoate

Systemtic Name: [(2S)-2,6-bis(azanyl)-5-oxidanyl-hexanoyl] 4-methylbenzoate Openeye Name: [(2S)-2,6-diamino-5-hydroxy-hexanoyl] 4-methylbenzoate CAS Name: 4-methylbenzoic acid [(2S)-2,6-diamino-5-hydroxy-1-oxohexyl] ester IUPAC Name: [(2S)-2,6-diamino-5-hydroxyhexanoyl] 4-methylbenzoate Traditional Name: 4-methylbenzoic acid [(2S)-2,6-diamino-5-hydroxy-hexanoyl] ester Formula: C14H20N2O4 MolecularWeight: 280.3196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)OC(=O)C(CCC(CN)O)N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)OC(=O)[C@H](CCC(CN)O)N

InChI

InChI=1S/C14H20N2O4/c1-9-2-4-10(5-3-9)13(18)20-14(19)12(16)7-6-11(17)8-15/h2-5,11-12,17H,6-8,15-16H2,1H3/t11?,12-/m0/s1