(2S)-4-azanyl-4-oxidanylidene-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]butanoic acid

Systemtic Name: (2S)-4-azanyl-4-oxidanylidene-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]butanoic acid Openeye Name: (2S)-4-amino-4-oxo-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]butanoic acid CAS Name: (2S)-4-amino-4-oxo-2-[[2-(1-pyrrolidinylmethyl)-4-quinazolinyl]amino]butanoic acid IUPAC Name: (2S)-4-amino-4-oxo-2-[[2-(pyrrolidin-1-ylmethyl)quinazolin-4-yl]amino]butanoic acid Traditional Name: (2S)-4-amino-4-keto-2-[[2-(pyrrolidinomethyl)quinazolin-4-yl]amino]butyric acid Formula: C17H21N5O3 MolecularWeight: 343.38034

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NC3=CC=CC=C3C(=N2)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1CCN(C1)CC2=NC3=CC=CC=C3C(=N2)N[C@@H](CC(=O)N)C(=O)O

InChI

InChI=1S/C17H21N5O3/c18-14(23)9-13(17(24)25)20-16-11-5-1-2-6-12(11)19-15(21-16)10-22-7-3-4-8-22/h1-2,5-6,13H,3-4,7-10H2,(H2,18,23)(H,24,25)(H,19,20,21)/t13-/m0/s1