(2S)-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methylcarbamoylamino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[[[4-(4-methoxyphenyl)-4-oxanyl]methylamino]-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[4-(4-methoxyphenyl)oxan-4-yl]methylcarbamoylamino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[4-(4-methoxyphenyl)tetrahydropyran-4-yl]methylcarbamoylamino]-4-methyl-valeric acid Formula: C20H30N2O5 MolecularWeight: 378.4626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)NCC1(CCOCC1)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)C[C@@H](C(=O)O)NC(=O)NCC1(CCOCC1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C20H30N2O5/c1-14(2)12-17(18(23)24)22-19(25)21-13-20(8-10-27-11-9-20)15-4-6-16(26-3)7-5-15/h4-7,14,17H,8-13H2,1-3H3,(H,23,24)(H2,21,22,25)/t17-/m0/s1