(E)-4-[[(2S)-2-azanyl-3-(4-methoxyphenyl)propanoyl]-methyl-amino]-2-methyl-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[(2S)-2-azanyl-3-(4-methoxyphenyl)propanoyl]-methyl-amino]-2-methyl-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-methyl-amino]-2-methyl-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[(2S)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl]-methylamino]-2-methyl-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-methylamino]-2-methyl-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-methyl-amino]-4-keto-2-methyl-but-2-enoic acid Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N(C)C(=O)C(CC1=CC=C(C=C1)OC)N)C(=O)O

Isomeric SMILES

C/C(=C\C(=O)N(C)C(=O)[C@H](CC1=CC=C(C=C1)OC)N)/C(=O)O

InChI

InChI=1S/C16H20N2O5/c1-10(16(21)22)8-14(19)18(2)15(20)13(17)9-11-4-6-12(23-3)7-5-11/h4-8,13H,9,17H2,1-3H3,(H,21,22)/b10-8+/t13-/m0/s1