2-[[(3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl)-(phenylmethyl)amino]methyl]butanoate

Systemtic Name: 2-[[(3-azanyl-4-cyclohexyl-2-oxidanyl-butanoyl)-(phenylmethyl)amino]methyl]butanoate Openeye Name: 2-[[(3-amino-4-cyclohexyl-2-hydroxy-butanoyl)-benzyl-amino]methyl]butanoate CAS Name: 2-[[(3-amino-4-cyclohexyl-2-hydroxy-1-oxobutyl)-(phenylmethyl)amino]methyl]butanoate IUPAC Name: 2-[[(3-amino-4-cyclohexyl-2-hydroxybutanoyl)-benzylamino]methyl]butanoate Traditional Name: 2-[[(3-amino-4-cyclohexyl-2-hydroxy-butanoyl)-benzyl-amino]methyl]butyrate Formula: C22H33N2O4- MolecularWeight: 389.50842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CN(CC1=CC=CC=C1)C(=O)C(C(CC2CCCCC2)N)O)C(=O)[O-]

Isomeric SMILES

CCC(CN(CC1=CC=CC=C1)C(=O)C(C(CC2CCCCC2)N)O)C(=O)[O-]

InChI

InChI=1S/C22H34N2O4/c1-2-18(22(27)28)15-24(14-17-11-7-4-8-12-17)21(26)20(25)19(23)13-16-9-5-3-6-10-16/h4,7-8,11-12,16,18-20,25H,2-3,5-6,9-10,13-15,23H2,1H3,(H,27,28)/p-1