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

Systemtic Name: (2S)-2-azanyl-5-[4-[2-(3-methylphenoxy)ethanoyl]piperazin-1-yl]-5-oxidanylidene-pentanoic acid Openeye Name: (2S)-2-amino-5-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-5-oxo-pentanoic acid CAS Name: (2S)-2-amino-5-[4-[2-(3-methylphenoxy)-1-oxoethyl]-1-piperazinyl]-5-oxopentanoic acid IUPAC Name: (2S)-2-amino-5-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]-5-oxopentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[4-[2-(3-methylphenoxy)acetyl]piperazino]valeric acid Formula: C18H25N3O5 MolecularWeight: 363.4082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C(=O)CCC(C(=O)O)N

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)N2CCN(CC2)C(=O)CC[C@@H](C(=O)O)N

InChI

InChI=1S/C18H25N3O5/c1-13-3-2-4-14(11-13)26-12-17(23)21-9-7-20(8-10-21)16(22)6-5-15(19)18(24)25/h2-4,11,15H,5-10,12,19H2,1H3,(H,24,25)/t15-/m0/s1