(2R)-5-azanyl-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2R)-5-azanyl-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: (2R)-5-amino-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]-5-oxo-pentanoic acid CAS Name: (2R)-5-amino-2-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: (2R)-5-amino-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoic acid Traditional Name: (2R)-5-amino-5-keto-2-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]valeric acid Formula: C25H25N5O5 MolecularWeight: 475.4965

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)NC(CCC(=O)N)C(=O)O

Isomeric SMILES

CC1=NC(=O)C2=C(N1)C=CC(=C2)CN(CC#C)C3=CC=C(C=C3)C(=O)N[C@H](CCC(=O)N)C(=O)O

InChI

InChI=1S/C25H25N5O5/c1-3-12-30(14-16-4-9-20-19(13-16)24(33)28-15(2)27-20)18-7-5-17(6-8-18)23(32)29-21(25(34)35)10-11-22(26)31/h1,4-9,13,21H,10-12,14H2,2H3,(H2,26,31)(H,29,32)(H,34,35)(H,27,28,33)/t21-/m1/s1