N-cyclohexylcyclohexanamine; (2S)-3-oxidanyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]butanoic acid; hydrate

Systemtic Name: N-cyclohexylcyclohexanamine; (2S)-3-oxidanyl-2-[2-(phenylmethoxycarbonylamino)ethanoylamino]butanoic acid; hydrate Openeye Name: (2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-hydroxy-butanoic acid; N-cyclohexylcyclohexanamine; hydrate CAS Name: N-cyclohexylcyclohexanamine; (2S)-3-hydroxy-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]butanoic acid; hydrate IUPAC Name: N-cyclohexylcyclohexanamine; (2S)-3-hydroxy-2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanoic acid; hydrate Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)acetyl]amino]-3-hydroxy-butyric acid; dicyclohexylamine; hydrate Formula: C26H43N3O7 MolecularWeight: 509.63552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)CNC(=O)OCC1=CC=CC=C1)O.C1CCC(CC1)NC2CCCCC2.O

Isomeric SMILES

CC([C@@H](C(=O)O)NC(=O)CNC(=O)OCC1=CC=CC=C1)O.C1CCC(CC1)NC2CCCCC2.O

InChI

InChI=1S/C14H18N2O6.C12H23N.H2O/c1-9(17)12(13(19)20)16-11(18)7-15-14(21)22-8-10-5-3-2-4-6-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h2-6,9,12,17H,7-8H2,1H3,(H,15,21)(H,16,18)(H,19,20);11-13H,1-10H2;1H2/t9?,12-;;/m0../s1