(2S,3R)-3-azanyl-4-cyclohexyl-N-[4-[3-(4-ethoxyphenyl)propanoylamino]phenyl]-2-oxidanyl-butanamide

Systemtic Name: (2S,3R)-3-azanyl-4-cyclohexyl-N-[4-[3-(4-ethoxyphenyl)propanoylamino]phenyl]-2-oxidanyl-butanamide Openeye Name: (2S,3R)-3-amino-4-cyclohexyl-N-[4-[3-(4-ethoxyphenyl)propanoylamino]phenyl]-2-hydroxy-butanamide CAS Name: (2S,3R)-3-amino-4-cyclohexyl-N-[4-[[3-(4-ethoxyphenyl)-1-oxopropyl]amino]phenyl]-2-hydroxybutanamide IUPAC Name: (2S,3R)-3-amino-4-cyclohexyl-N-[4-[3-(4-ethoxyphenyl)propanoylamino]phenyl]-2-hydroxybutanamide Traditional Name: (2S,3R)-3-amino-4-cyclohexyl-2-hydroxy-N-[4-(3-p-phenetylpropanoylamino)phenyl]butyramide Formula: C27H37N3O4 MolecularWeight: 467.60038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)NC(=O)C(C(CC3CCCCC3)N)O

Isomeric SMILES

CCOC1=CC=C(C=C1)CCC(=O)NC2=CC=C(C=C2)NC(=O)[C@H]([C@@H](CC3CCCCC3)N)O

InChI

InChI=1S/C27H37N3O4/c1-2-34-23-15-8-19(9-16-23)10-17-25(31)29-21-11-13-22(14-12-21)30-27(33)26(32)24(28)18-20-6-4-3-5-7-20/h8-9,11-16,20,24,26,32H,2-7,10,17-18,28H2,1H3,(H,29,31)(H,30,33)/t24-,26+/m1/s1