5-azanyl-2-[(4-bromanyl-1-cyclopropyl-pyrrol-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(4-bromanyl-1-cyclopropyl-pyrrol-2-yl)carbonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(4-bromo-1-cyclopropyl-pyrrole-2-carbonyl)amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[(4-bromo-1-cyclopropyl-2-pyrrolyl)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[(4-bromo-1-cyclopropyl-pyrrole-2-carbonyl)amino]-5-keto-valeric acid Formula: C13H16BrN3O4 MolecularWeight: 358.18784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C=C2C(=O)NC(CCC(=O)N)C(=O)O)Br

Isomeric SMILES

C1CC1N2C=C(C=C2C(=O)NC(CCC(=O)N)C(=O)O)Br

InChI

InChI=1S/C13H16BrN3O4/c14-7-5-10(17(6-7)8-1-2-8)12(19)16-9(13(20)21)3-4-11(15)18/h5-6,8-9H,1-4H2,(H2,15,18)(H,16,19)(H,20,21)