dicyclohexylazanium; (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: dicyclohexylazanium; (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoate; dicyclohexylammonium CAS Name: dicyclohexylammonium; (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate IUPAC Name: dicyclohexylazanium; (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-valerate; dicyclohexylammonium Formula: C26H42N2O4 MolecularWeight: 446.62268

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)[NH2+]C2CCCCC2

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC(=O)OCC1=CC=CC=C1.C1CCC(CC1)[NH2+]C2CCCCC2

InChI

InChI=1S/C14H19NO4.C12H23N/c1-3-10(2)12(13(16)17)15-14(18)19-9-11-7-5-4-6-8-11;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h4-8,10,12H,3,9H2,1-2H3,(H,15,18)(H,16,17);11-13H,1-10H2/t10-,12-;/m0./s1