(4R)-4-azanyl-5-oxidanylidene-5-(3-phenylpropylamino)pentanoic acid hydrate hydrochloride

Systemtic Name: (4R)-4-azanyl-5-oxidanylidene-5-(3-phenylpropylamino)pentanoic acid hydrate hydrochloride Openeye Name: (4R)-4-amino-5-oxo-5-(3-phenylpropylamino)pentanoic acid hydrate hydrochloride CAS Name: (4R)-4-amino-5-oxo-5-(3-phenylpropylamino)pentanoic acid hydrate hydrochloride IUPAC Name: (4R)-4-amino-5-oxo-5-(3-phenylpropylamino)pentanoic acid hydrate hydrochloride Traditional Name: (4R)-4-amino-5-keto-5-(3-phenylpropylamino)valeric acid hydrate hydrochloride Formula: C14H23ClN2O4 MolecularWeight: 318.79642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)C(CCC(=O)O)N.O.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)[C@@H](CCC(=O)O)N.O.Cl

InChI

InChI=1S/C14H20N2O3.ClH.H2O/c15-12(8-9-13(17)18)14(19)16-10-4-7-11-5-2-1-3-6-11;;/h1-3,5-6,12H,4,7-10,15H2,(H,16,19)(H,17,18);1H;1H2/t12-;;/m1../s1