(2S)-2-azanyl-5-(naphthalen-1-ylamino)-5-oxidanylidene-pentanoic acid hydrate

Systemtic Name: (2S)-2-azanyl-5-(naphthalen-1-ylamino)-5-oxidanylidene-pentanoic acid hydrate Openeye Name: (2S)-2-amino-5-(1-naphthylamino)-5-oxo-pentanoic acid hydrate CAS Name: (2S)-2-amino-5-(1-naphthalenylamino)-5-oxopentanoic acid hydrate IUPAC Name: (2S)-2-amino-5-(naphthalen-1-ylamino)-5-oxopentanoic acid hydrate Traditional Name: (2S)-2-amino-5-keto-5-(1-naphthylamino)valeric acid hydrate Formula: C15H18N2O4 MolecularWeight: 290.31442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(=O)CCC(C(=O)O)N.O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=O)CC[C@@H](C(=O)O)N.O

InChI

InChI=1S/C15H16N2O3.H2O/c16-12(15(19)20)8-9-14(18)17-13-7-3-5-10-4-1-2-6-11(10)13;/h1-7,12H,8-9,16H2,(H,17,18)(H,19,20);1H2/t12-;/m0./s1