(2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-[4-[1-methyl-7-(methylaminomethyl)-2,4-bis(oxidanylidene)quinazolin-3-yl]phenyl]propanoic acid

Systemtic Name: (2S)-2-[[2,6-bis(chloranyl)phenyl]carbonylamino]-3-[4-[1-methyl-7-(methylaminomethyl)-2,4-bis(oxidanylidene)quinazolin-3-yl]phenyl]propanoic acid Openeye Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[1-methyl-7-(methylaminomethyl)-2,4-dioxo-quinazolin-3-yl]phenyl]propanoic acid CAS Name: (2S)-2-[[(2,6-dichlorophenyl)-oxomethyl]amino]-3-[4-[1-methyl-7-(methylaminomethyl)-2,4-dioxo-3-quinazolinyl]phenyl]propanoic acid IUPAC Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[1-methyl-7-(methylaminomethyl)-2,4-dioxoquinazolin-3-yl]phenyl]propanoic acid Traditional Name: (2S)-2-[(2,6-dichlorobenzoyl)amino]-3-[4-[2,4-diketo-1-methyl-7-(methylaminomethyl)quinazolin-3-yl]phenyl]propionic acid Formula: C27H24Cl2N4O5 MolecularWeight: 555.40926

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC2=C(C=C1)C(=O)N(C(=O)N2C)C3=CC=C(C=C3)CC(C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl

Isomeric SMILES

CNCC1=CC2=C(C=C1)C(=O)N(C(=O)N2C)C3=CC=C(C=C3)C[C@@H](C(=O)O)NC(=O)C4=C(C=CC=C4Cl)Cl

InChI

InChI=1S/C27H24Cl2N4O5/c1-30-14-16-8-11-18-22(13-16)32(2)27(38)33(25(18)35)17-9-6-15(7-10-17)12-21(26(36)37)31-24(34)23-19(28)4-3-5-20(23)29/h3-11,13,21,30H,12,14H2,1-2H3,(H,31,34)(H,36,37)/t21-/m0/s1