(2S)-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methylcarbamoylamino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[[4-(4-methoxyphenyl)-4-oxanyl]methylamino]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methylcarbamoylamino]-3-phenyl-propionic acid Formula: C23H28N2O5 MolecularWeight: 412.47882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C2(CCOCC2)CNC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C23H28N2O5/c1-29-19-9-7-18(8-10-19)23(11-13-30-14-12-23)16-24-22(28)25-20(21(26)27)15-17-5-3-2-4-6-17/h2-10,20H,11-16H2,1H3,(H,26,27)(H2,24,25,28)/t20-/m0/s1