sodium (2S)-2-[[1-(5-azanyl-2-oxidanyl-phenyl)carbonylpyrrol-2-yl]carbonylamino]-4-methyl-pentanoate

Systemtic Name: sodium (2S)-2-[[1-(5-azanyl-2-oxidanyl-phenyl)carbonylpyrrol-2-yl]carbonylamino]-4-methyl-pentanoate Openeye Name: sodium (2S)-2-[[1-(5-amino-2-hydroxy-benzoyl)pyrrole-2-carbonyl]amino]-4-methyl-pentanoate CAS Name: sodium (2S)-2-[[[1-[(5-amino-2-hydroxyphenyl)-oxomethyl]-2-pyrrolyl]-oxomethyl]amino]-4-methylpentanoate IUPAC Name: sodium (2S)-2-[[1-(5-amino-2-hydroxybenzoyl)pyrrole-2-carbonyl]amino]-4-methylpentanoate Traditional Name: sodium (2S)-2-[[1-(5-amino-2-hydroxy-benzoyl)pyrrole-2-carbonyl]amino]-4-methyl-valerate Formula: C18H20N3NaO5 MolecularWeight: 381.35827

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C1=CC=CN1C(=O)C2=C(C=CC(=C2)N)O.[Na+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)C1=CC=CN1C(=O)C2=C(C=CC(=C2)N)O.[Na+]

InChI

InChI=1S/C18H21N3O5.Na/c1-10(2)8-13(18(25)26)20-16(23)14-4-3-7-21(14)17(24)12-9-11(19)5-6-15(12)22;/h3-7,9-10,13,22H,8,19H2,1-2H3,(H,20,23)(H,25,26);/q;+1/p-1/t13-;/m0./s1