[(2S)-1-[[2,5-bis(methoxycarbonyl)phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-[[2,5-bis(methoxycarbonyl)phenyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[[2,5-bis(methoxycarbonyl)phenyl]carbamoyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-[2,5-bis(methoxycarbonyl)anilino]-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-[2,5-bis(methoxycarbonyl)anilino]-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[(2,5-dicarbomethoxyphenyl)carbamoyl]-3-methyl-butyl]ammonium Formula: C16H23N2O5+ MolecularWeight: 323.36422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)NC1=C(C=CC(=C1)C(=O)OC)C(=O)OC)[NH3+]

InChI

InChI=1S/C16H22N2O5/c1-9(2)7-12(17)14(19)18-13-8-10(15(20)22-3)5-6-11(13)16(21)23-4/h5-6,8-9,12H,7,17H2,1-4H3,(H,18,19)/p+1/t12-/m0/s1