(2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)pentanoyl]amino]pentanoate

Systemtic Name: (2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)pentanoyl]amino]pentanoate Openeye Name: (2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]pentanoate CAS Name: (2S)-4-methyl-2-[[(2S,3S)-3-methyl-1-oxo-2-(4-oxo-3-quinazolinyl)pentyl]amino]pentanoate IUPAC Name: (2S)-4-methyl-2-[[(2S,3S)-3-methyl-2-(4-oxoquinazolin-3-yl)pentanoyl]amino]pentanoate Traditional Name: (2S)-2-[[(2S,3S)-2-(4-ketoquinazolin-3-yl)-3-methyl-pentanoyl]amino]-4-methyl-valerate Formula: C20H26N3O4- MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC(C)C)C(=O)[O-])N1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)[O-])N1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C20H27N3O4/c1-5-13(4)17(18(24)22-16(20(26)27)10-12(2)3)23-11-21-15-9-7-6-8-14(15)19(23)25/h6-9,11-13,16-17H,5,10H2,1-4H3,(H,22,24)(H,26,27)/p-1/t13-,16-,17-/m0/s1