1-[(2S)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[(2S)-2-[[4-[(2-methyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]phenyl]carbonylamino]-5-oxidanyl-5-oxidanylidene-pentanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(2S)-5-hydroxy-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynyl-amino]benzoyl]amino]-5-oxo-pentanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[(2S)-5-hydroxy-2-[[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]phenyl]-oxomethyl]amino]-1,5-dioxopentyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(2S)-5-hydroxy-2-[[4-[(2-methyl-4-oxo-1H-quinazolin-6-yl)methyl-prop-2-ynylamino]benzoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[(2S)-5-hydroxy-5-keto-2-[[4-[(4-keto-2-methyl-1H-quinazolin-6-yl)methyl-propargyl-amino]benzoyl]amino]pentanoyl]proline Formula: C30H31N5O7 MolecularWeight: 573.59644

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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)O)C(=O)N4CCCC4C(=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)O)C(=O)N4CCCC4C(=O)O

InChI

InChI=1S/C30H31N5O7/c1-3-14-34(17-19-6-11-23-22(16-19)28(39)32-18(2)31-23)21-9-7-20(8-10-21)27(38)33-24(12-13-26(36)37)29(40)35-15-4-5-25(35)30(41)42/h1,6-11,16,24-25H,4-5,12-15,17H2,2H3,(H,33,38)(H,36,37)(H,41,42)(H,31,32,39)/t24-,25?/m0/s1