2-[6-[bis(carboxymethyl)amino]-6-methyl-4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-1,4-diazepan-1-yl]propanoic acid

Systemtic Name: 2-[6-[bis(carboxymethyl)amino]-6-methyl-4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-1,4-diazepan-1-yl]propanoic acid Openeye Name: 2-[6-[bis(carboxymethyl)amino]-4-(2-hydroxy-1-methyl-2-oxo-ethyl)-6-methyl-1,4-diazepan-1-yl]propanoic acid CAS Name: 2-[6-[bis(carboxymethyl)amino]-4-(1-hydroxy-1-oxopropan-2-yl)-6-methyl-1,4-diazepan-1-yl]propanoic acid IUPAC Name: 2-[6-[bis(carboxymethyl)amino]-4-(1-hydroxy-1-oxopropan-2-yl)-6-methyl-1,4-diazepan-1-yl]propanoic acid Traditional Name: 2-[6-[bis(carboxymethyl)amino]-4-(2-hydroxy-2-keto-1-methyl-ethyl)-6-methyl-1,4-diazepan-1-yl]propionic acid Formula: C16H27N3O8 MolecularWeight: 389.40088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N1CCN(CC(C1)(C)N(CC(=O)O)CC(=O)O)C(C)C(=O)O

Isomeric SMILES

CC(C(=O)O)N1CCN(CC(C1)(C)N(CC(=O)O)CC(=O)O)C(C)C(=O)O

InChI

InChI=1S/C16H27N3O8/c1-10(14(24)25)17-4-5-18(11(2)15(26)27)9-16(3,8-17)19(6-12(20)21)7-13(22)23/h10-11H,4-9H2,1-3H3,(H,20,21)(H,22,23)(H,24,25)(H,26,27)