(3S)-3-[2-(4-oxidanylidene-6-piperazin-1-yl-quinazolin-3-yl)ethanoylamino]pent-4-ynoic acid

Systemtic Name: (3S)-3-[2-(4-oxidanylidene-6-piperazin-1-yl-quinazolin-3-yl)ethanoylamino]pent-4-ynoic acid Openeye Name: (3S)-3-[[2-(4-oxo-6-piperazin-1-yl-quinazolin-3-yl)acetyl]amino]pent-4-ynoic acid CAS Name: (3S)-3-[[1-oxo-2-[4-oxo-6-(1-piperazinyl)-3-quinazolinyl]ethyl]amino]-4-pentynoic acid IUPAC Name: (3S)-3-[[2-(4-oxo-6-piperazin-1-ylquinazolin-3-yl)acetyl]amino]pent-4-ynoic acid Traditional Name: (3S)-3-[[2-(4-keto-6-piperazino-quinazolin-3-yl)acetyl]amino]pent-4-ynoic acid Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

C#CC(CC(=O)O)NC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)N3CCNCC3

Isomeric SMILES

C#C[C@H](CC(=O)O)NC(=O)CN1C=NC2=C(C1=O)C=C(C=C2)N3CCNCC3

InChI

InChI=1S/C19H21N5O4/c1-2-13(9-18(26)27)22-17(25)11-24-12-21-16-4-3-14(10-15(16)19(24)28)23-7-5-20-6-8-23/h1,3-4,10,12-13,20H,5-9,11H2,(H,22,25)(H,26,27)/t13-/m1/s1