3-azanyl-4-[[1-[[1-(carboxymethylamino)-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[1-[[1-(carboxymethylamino)-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[1-[[2-(carboxymethylamino)-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[1-[[1-(carboxymethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-[[1-(carboxymethylamino)-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-[[1-[[2-(carboxymethylamino)-1-(4-hydroxybenzyl)-2-keto-ethyl]carbamoyl]-2-methyl-propyl]amino]-4-keto-butyric acid Formula: C20H28N4O8 MolecularWeight: 452.45832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)O)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NCC(=O)O)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C20H28N4O8/c1-10(2)17(24-18(30)13(21)8-15(26)27)20(32)23-14(19(31)22-9-16(28)29)7-11-3-5-12(25)6-4-11/h3-6,10,13-14,17,25H,7-9,21H2,1-2H3,(H,22,31)(H,23,32)(H,24,30)(H,26,27)(H,28,29)