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

Systemtic Name: (2S)-2-azanyl-5-oxidanylidene-5-[4-(2-phenoxyethanoyl)piperazin-1-yl]pentanoic acid Openeye Name: (2S)-2-amino-5-oxo-5-[4-(2-phenoxyacetyl)piperazin-1-yl]pentanoic acid CAS Name: (2S)-2-amino-5-oxo-5-[4-(1-oxo-2-phenoxyethyl)-1-piperazinyl]pentanoic acid IUPAC Name: (2S)-2-amino-5-oxo-5-[4-(2-phenoxyacetyl)piperazin-1-yl]pentanoic acid Traditional Name: (2S)-2-amino-5-keto-5-[4-(2-phenoxyacetyl)piperazino]valeric acid Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC(C(=O)O)N)C(=O)COC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN1C(=O)CC[C@@H](C(=O)O)N)C(=O)COC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O5/c18-14(17(23)24)6-7-15(21)19-8-10-20(11-9-19)16(22)12-25-13-4-2-1-3-5-13/h1-5,14H,6-12,18H2,(H,23,24)/t14-/m0/s1