(2S)-5-[bis(azanyl)methylideneazaniumyl]-2-[[(2S)-2-(4-oxidanylidenequinazolin-3-yl)-3-phenyl-propanoyl]amino]pentanoate

Systemtic Name: (2S)-5-[bis(azanyl)methylideneazaniumyl]-2-[[(2S)-2-(4-oxidanylidenequinazolin-3-yl)-3-phenyl-propanoyl]amino]pentanoate Openeye Name: (2S)-5-(diaminomethyleneammonio)-2-[[(2S)-2-(4-oxoquinazolin-3-yl)-3-phenyl-propanoyl]amino]pentanoate CAS Name: (2S)-5-(diaminomethylideneammonio)-2-[[(2S)-1-oxo-2-(4-oxo-3-quinazolinyl)-3-phenylpropyl]amino]pentanoate IUPAC Name: (2S)-5-(diaminomethylideneazaniumyl)-2-[[(2S)-2-(4-oxoquinazolin-3-yl)-3-phenylpropanoyl]amino]pentanoate Traditional Name: (2S)-5-(diaminomethyleneammonio)-2-[[(2S)-2-(4-ketoquinazolin-3-yl)-3-phenyl-propanoyl]amino]valerate Formula: C23H26N6O4 MolecularWeight: 450.49034

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-])N2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)[O-])N2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C23H26N6O4/c24-23(25)26-12-6-11-18(22(32)33)28-20(30)19(13-15-7-2-1-3-8-15)29-14-27-17-10-5-4-9-16(17)21(29)31/h1-5,7-10,14,18-19H,6,11-13H2,(H,28,30)(H,32,33)(H4,24,25,26)/t18-,19-/m0/s1