methyl (2S)-3-methyl-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[2-[2-(phenylmethoxycarbonylamino)ethanoylamino]ethanoylamino]butanoate Openeye Name: methyl (2S)-2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[1-oxo-2-[[1-oxo-2-(phenylmethoxycarbonylamino)ethyl]amino]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]butanoate Traditional Name: (2S)-2-[[2-[[2-(benzyloxycarbonylamino)acetyl]amino]acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C18H25N3O6 MolecularWeight: 379.4076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)CNC(=O)CNC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H25N3O6/c1-12(2)16(17(24)26-3)21-15(23)10-19-14(22)9-20-18(25)27-11-13-7-5-4-6-8-13/h4-8,12,16H,9-11H2,1-3H3,(H,19,22)(H,20,25)(H,21,23)/t16-/m0/s1