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6094-36-6 molecular structure
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(2S)-2-(phenylformamido)pentanedioic acid

ChemBase ID: 102090
Molecular Formular: C12H13NO5
Molecular Mass: 251.23532
Monoisotopic Mass: 251.07937252
SMILES and InChIs

SMILES:
OC(=O)CC[C@H](NC(=O)c1ccccc1)C(=O)O
Canonical SMILES:
O=C(c1ccccc1)N[C@H](C(=O)O)CCC(=O)O
InChI:
InChI=1S/C12H13NO5/c14-10(15)7-6-9(12(17)18)13-11(16)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,16)(H,14,15)(H,17,18)/t9-/m0/s1
InChIKey:
LPJXPACOXRZCCP-VIFPVBQESA-N

Cite this record

CBID:102090 http://www.chembase.cn/molecule-102090.html

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