dimethyl (2S)-2-[[(4S)-4-azanyl-5-methoxy-5-oxidanylidene-pentanoyl]amino]pentanedioate

Systemtic Name: dimethyl (2S)-2-[[(4S)-4-azanyl-5-methoxy-5-oxidanylidene-pentanoyl]amino]pentanedioate Openeye Name: dimethyl (2S)-2-[[(4S)-4-azanyl-5-methoxy-5-oxo-pentanoyl]amino]pentanedioate CAS Name: (2S)-2-[[(4S)-4-azanyl-5-methoxy-1,5-dioxopentyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[(4S)-4-azanyl-5-methoxy-5-oxopentanoyl]amino]pentanedioate Traditional Name: (2S)-2-[[(4S)-4-azanyl-5-keto-5-methoxy-pentanoyl]amino]glutaric acid dimethyl ester Formula: C13H22N2O7 MolecularWeight: 320.309798

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)NC(=O)CCC(C(=O)OC)N

Isomeric SMILES

COC(=O)CC[C@@H](C(=O)OC)[15NH]C(=O)CC[C@@H](C(=O)OC)[15NH2]

InChI

InChI=1S/C13H22N2O7/c1-20-11(17)7-5-9(13(19)22-3)15-10(16)6-4-8(14)12(18)21-2/h8-9H,4-7,14H2,1-3H3,(H,15,16)/t8-,9-/m0/s1/i14+1,15+1