2-[(4-azanyl-4-oxidanylidene-butanoyl)amino]-3-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid

Systemtic Name: 2-[(4-azanyl-4-oxidanylidene-butanoyl)amino]-3-[[3-(1H-imidazol-5-yl)-1-oxidanyl-1-oxidanylidene-propan-2-yl]amino]butanoic acid Openeye Name: 2-[(4-amino-4-oxo-butanoyl)amino]-3-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]amino]butanoic acid CAS Name: 2-[(4-amino-1,4-dioxobutyl)amino]-3-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]butanoic acid IUPAC Name: 2-[(4-amino-4-oxobutanoyl)amino]-3-[[1-hydroxy-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]butanoic acid Traditional Name: 2-[(4-amino-4-keto-butanoyl)amino]-3-[[2-hydroxy-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]amino]butyric acid Formula: C14H21N5O6 MolecularWeight: 355.34644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)CCC(=O)N)NC(CC1=CN=CN1)C(=O)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)CCC(=O)N)NC(CC1=CN=CN1)C(=O)O

InChI

InChI=1S/C14H21N5O6/c1-7(12(14(24)25)19-11(21)3-2-10(15)20)18-9(13(22)23)4-8-5-16-6-17-8/h5-7,9,12,18H,2-4H2,1H3,(H2,15,20)(H,16,17)(H,19,21)(H,22,23)(H,24,25)