(2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-3-phenyl-propanoate

Systemtic Name: (2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-3-phenyl-propanoate Openeye Name: (2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-3-phenyl-propanoate CAS Name: (2S)-2-[[[3-(1-imidazolyl)propylamino]-oxomethyl]amino]-3-phenylpropanoate IUPAC Name: (2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-3-phenylpropanoate Traditional Name: (2S)-2-(3-imidazol-1-ylpropylcarbamoylamino)-3-phenyl-propionate Formula: C16H19N4O3- MolecularWeight: 315.34706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)[O-])NC(=O)NCCCN2C=CN=C2

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)[O-])NC(=O)NCCCN2C=CN=C2

InChI

InChI=1S/C16H20N4O3/c21-15(22)14(11-13-5-2-1-3-6-13)19-16(23)18-7-4-9-20-10-8-17-12-20/h1-3,5-6,8,10,12,14H,4,7,9,11H2,(H,21,22)(H2,18,19,23)/p-1/t14-/m0/s1