2-azanyl-3-oxidanylidene-2-(2-oxidanylideneethyl)-4-[[5-(phenylmethyl)-1H-pyrrol-2-yl]carbonylamino]pentanoic acid

Systemtic Name: 2-azanyl-3-oxidanylidene-2-(2-oxidanylideneethyl)-4-[[5-(phenylmethyl)-1H-pyrrol-2-yl]carbonylamino]pentanoic acid Openeye Name: 2-amino-4-[(5-benzyl-1H-pyrrole-2-carbonyl)amino]-3-oxo-2-(2-oxoethyl)pentanoic acid CAS Name: 2-amino-3-oxo-2-(2-oxoethyl)-4-[[oxo-[5-(phenylmethyl)-1H-pyrrol-2-yl]methyl]amino]pentanoic acid IUPAC Name: 2-amino-4-[(5-benzyl-1H-pyrrole-2-carbonyl)amino]-3-oxo-2-(2-oxoethyl)pentanoic acid Traditional Name: 2-amino-4-[(5-benzyl-1H-pyrrole-2-carbonyl)amino]-3-keto-2-(2-ketoethyl)valeric acid Formula: C19H21N3O5 MolecularWeight: 371.38714

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C(CC=O)(C(=O)O)N)NC(=O)C1=CC=C(N1)CC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)C(CC=O)(C(=O)O)N)NC(=O)C1=CC=C(N1)CC2=CC=CC=C2

InChI

InChI=1S/C19H21N3O5/c1-12(16(24)19(20,9-10-23)18(26)27)21-17(25)15-8-7-14(22-15)11-13-5-3-2-4-6-13/h2-8,10,12,22H,9,11,20H2,1H3,(H,21,25)(H,26,27)