3-azanyl-2-[2-[(2-azanyl-4-methyl-pentanoyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]benzoic acid

Systemtic Name: 3-azanyl-2-[2-[(2-azanyl-4-methyl-pentanoyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-oxidanyl-4-oxidanylidene-butanoyl]benzoic acid Openeye Name: 3-amino-2-[2-[(2-amino-4-methyl-pentanoyl)-tert-butoxycarbonyl-amino]-4-hydroxy-4-oxo-butanoyl]benzoic acid CAS Name: 3-amino-2-[2-[(2-amino-4-methyl-1-oxopentyl)-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-hydroxy-1,4-dioxobutyl]benzoic acid IUPAC Name: 3-amino-2-[2-[(2-amino-4-methylpentanoyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4-hydroxy-4-oxobutanoyl]benzoic acid Traditional Name: 3-amino-2-[2-[(2-amino-4-methyl-pentanoyl)-tert-butoxycarbonyl-amino]-4-hydroxy-4-keto-butanoyl]benzoic acid Formula: C22H31N3O8 MolecularWeight: 465.49684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C(CC(=O)O)C(=O)C1=C(C=CC=C1N)C(=O)O)C(=O)OC(C)(C)C)N

Isomeric SMILES

CC(C)CC(C(=O)N(C(CC(=O)O)C(=O)C1=C(C=CC=C1N)C(=O)O)C(=O)OC(C)(C)C)N

InChI

InChI=1S/C22H31N3O8/c1-11(2)9-14(24)19(29)25(21(32)33-22(3,4)5)15(10-16(26)27)18(28)17-12(20(30)31)7-6-8-13(17)23/h6-8,11,14-15H,9-10,23-24H2,1-5H3,(H,26,27)(H,30,31)