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

Systemtic Name: (2S)-5-azanyl-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]pentanoic acid Openeye Name: (2S)-5-amino-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]pentanoic acid CAS Name: (2S)-5-amino-2-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]pentanoic acid IUPAC Name: (2S)-5-amino-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]pentanoic acid Traditional Name: (2S)-5-amino-2-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]valeric acid Formula: C25H27N5O4 MolecularWeight: 461.51298

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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(CCCN)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](CCCN)C(=O)O

InChI

InChI=1S/C25H27N5O4/c1-3-13-30(15-17-6-11-21-20(14-17)24(32)28-16(2)27-21)19-9-7-18(8-10-19)23(31)29-22(25(33)34)5-4-12-26/h1,6-11,14,22H,4-5,12-13,15,26H2,2H3,(H,29,31)(H,33,34)(H,27,28,32)/t22-/m0/s1