5-(aminocarbonylamino)-2-azanyl-pentanoic acid; 3-(3,4-dimethoxyphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanamide

Systemtic Name: 5-(aminocarbonylamino)-2-azanyl-pentanoic acid; 3-(3,4-dimethoxyphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanamide Openeye Name: 2-amino-5-ureido-pentanoic acid; 3-(3,4-dimethoxyphenyl)-3-(1-oxoisoindolin-2-yl)propanamide CAS Name: 2-amino-5-(carbamoylamino)pentanoic acid; 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide IUPAC Name: 2-amino-5-(carbamoylamino)pentanoic acid; 3-(3,4-dimethoxyphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanamide Traditional Name: 2-amino-5-ureido-valeric acid; 3-(3,4-dimethoxyphenyl)-3-(1-ketoisoindolin-2-yl)propionamide Formula: C25H33N5O7 MolecularWeight: 515.55882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC(=O)N)N2CC3=CC=CC=C3C2=O)OC.C(CC(C(=O)O)N)CNC(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC(=O)N)N2CC3=CC=CC=C3C2=O)OC.C(CC(C(=O)O)N)CNC(=O)N

InChI

InChI=1S/C19H20N2O4.C6H13N3O3/c1-24-16-8-7-12(9-17(16)25-2)15(10-18(20)22)21-11-13-5-3-4-6-14(13)19(21)23;7-4(5(10)11)2-1-3-9-6(8)12/h3-9,15H,10-11H2,1-2H3,(H2,20,22);4H,1-3,7H2,(H,10,11)(H3,8,9,12)