dimethyl (2S)-2-[[(3S)-3-acetamido-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-6-oxidanyl-heptanedioate

Systemtic Name: dimethyl (2S)-2-[[(3S)-3-acetamido-4-oxidanylidene-4-phenylmethoxy-butanoyl]amino]-6-oxidanyl-heptanedioate Openeye Name: dimethyl (2S)-2-[[(3S)-3-acetamido-4-benzyloxy-4-oxo-butanoyl]amino]-6-hydroxy-heptanedioate CAS Name: (2S)-2-[[(3S)-3-acetamido-1,4-dioxo-4-phenylmethoxybutyl]amino]-6-hydroxyheptanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-[[(3S)-3-acetamido-4-oxo-4-phenylmethoxybutanoyl]amino]-6-hydroxyheptanedioate Traditional Name: (2S)-2-[[(3S)-3-acetamido-4-benzoxy-4-keto-butanoyl]amino]-6-hydroxy-pimelic acid dimethyl ester Formula: C22H30N2O9 MolecularWeight: 466.4816

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NC(CCCC(C(=O)OC)O)C(=O)OC)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)N[C@@H](CC(=O)N[C@@H](CCCC(C(=O)OC)O)C(=O)OC)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C22H30N2O9/c1-14(25)23-17(21(29)33-13-15-8-5-4-6-9-15)12-19(27)24-16(20(28)31-2)10-7-11-18(26)22(30)32-3/h4-6,8-9,16-18,26H,7,10-13H2,1-3H3,(H,23,25)(H,24,27)/t16-,17-,18?/m0/s1