methyl (2S)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-3-hydroxy-2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]propanoic acid methyl ester IUPAC Name: methyl (2S)-3-hydroxy-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]propanoate Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C18H26N2O6 MolecularWeight: 366.40884

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CO)C(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(C)C(C(=O)N[C@@H](CO)C(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H26N2O6/c1-4-12(2)15(16(22)19-14(10-21)17(23)25-3)20-18(24)26-11-13-8-6-5-7-9-13/h5-9,12,14-15,21H,4,10-11H2,1-3H3,(H,19,22)(H,20,24)/t12?,14-,15?/m0/s1