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

Systemtic Name: (2S,3S)-2-[(2-chloranylquinazolin-4-yl)amino]-3-methyl-pentanoate Openeye Name: (2S,3S)-2-[(2-chloroquinazolin-4-yl)amino]-3-methyl-pentanoate CAS Name: (2S,3S)-2-[(2-chloro-4-quinazolinyl)amino]-3-methylpentanoate IUPAC Name: (2S,3S)-2-[(2-chloroquinazolin-4-yl)amino]-3-methylpentanoate Traditional Name: (2S,3S)-2-[(2-chloroquinazolin-4-yl)amino]-3-methyl-valerate Formula: C14H15ClN3O2- MolecularWeight: 292.7408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)[O-])NC1=NC(=NC2=CC=CC=C21)Cl

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)[O-])NC1=NC(=NC2=CC=CC=C21)Cl

InChI

InChI=1S/C14H16ClN3O2/c1-3-8(2)11(13(19)20)17-12-9-6-4-5-7-10(9)16-14(15)18-12/h4-8,11H,3H2,1-2H3,(H,19,20)(H,16,17,18)/p-1/t8-,11-/m0/s1