(2S)-2-azanyl-5-[4-[3-(4-methoxyphenoxy)propanoyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2S)-2-azanyl-5-[4-[3-(4-methoxyphenoxy)propanoyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-[3-(4-methoxyphenoxy)propanoyl]piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-[3-(4-methoxyphenoxy)-1-oxopropyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-[3-(4-methoxyphenoxy)propanoyl]piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[4-[3-(4-methoxyphenoxy)propanoyl]piperazino]valeric acid Formula: C19H27N3O6 MolecularWeight: 393.43418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H27N3O6/c1-27-14-2-4-15(5-3-14)28-13-8-18(24)22-11-9-21(10-12-22)17(23)7-6-16(20)19(25)26/h2-5,16H,6-13,20H2,1H3,(H,25,26)/t16-/m0/s1