(2S)-2-azanyl-5-[4-[2-(4-methoxyphenoxy)ethanoyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[4-[2-(4-methoxyphenoxy)ethanoyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-[2-(4-methoxyphenoxy)-1-oxoethyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-[2-(4-methoxyphenoxy)acetyl]piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[4-[2-(4-methoxyphenoxy)acetyl]piperazino]valeric acid Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)CCC(C(=O)O)N

Isomeric SMILES

COC1=CC=C(C=C1)OCC(=O)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C18H25N3O6/c1-26-13-2-4-14(5-3-13)27-12-17(23)21-10-8-20(9-11-21)16(22)7-6-15(19)18(24)25/h2-5,15H,6-12,19H2,1H3,(H,24,25)/t15-/m0/s1