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

Systemtic Name: (2S)-4-azanyl-2-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (2S)-4-amino-2-[[2-(morpholinomethyl)quinazolin-4-yl]amino]-4-oxo-butanoic acid CAS Name: (2S)-4-amino-2-[[2-(4-morpholinylmethyl)-4-quinazolinyl]amino]-4-oxobutanoic acid IUPAC Name: (2S)-4-amino-2-[[2-(morpholin-4-ylmethyl)quinazolin-4-yl]amino]-4-oxobutanoic acid Traditional Name: (2S)-4-amino-4-keto-2-[[2-(morpholinomethyl)quinazolin-4-yl]amino]butyric acid Formula: C17H21N5O4 MolecularWeight: 359.37974

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=NC3=CC=CC=C3C(=N2)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1COCCN1CC2=NC3=CC=CC=C3C(=N2)N[C@@H](CC(=O)N)C(=O)O

InChI

InChI=1S/C17H21N5O4/c18-14(23)9-13(17(24)25)20-16-11-3-1-2-4-12(11)19-15(21-16)10-22-5-7-26-8-6-22/h1-4,13H,5-10H2,(H2,18,23)(H,24,25)(H,19,20,21)/t13-/m0/s1