5-(aminocarbonylamino)-2-[[4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]pentanoic acid

Systemtic Name: 5-(aminocarbonylamino)-2-[[4-methylsulfanyl-2-(4-oxidanylidenequinazolin-3-yl)butanoyl]amino]pentanoic acid Openeye Name: 2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]-5-ureido-pentanoic acid CAS Name: 5-(carbamoylamino)-2-[[4-(methylthio)-1-oxo-2-(4-oxo-3-quinazolinyl)butyl]amino]pentanoic acid IUPAC Name: 5-(carbamoylamino)-2-[[4-methylsulfanyl-2-(4-oxoquinazolin-3-yl)butanoyl]amino]pentanoic acid Traditional Name: 2-[[2-(4-ketoquinazolin-3-yl)-4-(methylthio)butanoyl]amino]-5-ureido-valeric acid Formula: C19H25N5O5S MolecularWeight: 435.4973

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CCCNC(=O)N)C(=O)O)N1C=NC2=CC=CC=C2C1=O

Isomeric SMILES

CSCCC(C(=O)NC(CCCNC(=O)N)C(=O)O)N1C=NC2=CC=CC=C2C1=O

InChI

InChI=1S/C19H25N5O5S/c1-30-10-8-15(24-11-22-13-6-3-2-5-12(13)17(24)26)16(25)23-14(18(27)28)7-4-9-21-19(20)29/h2-3,5-6,11,14-15H,4,7-10H2,1H3,(H,23,25)(H,27,28)(H3,20,21,29)