methyl (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: methyl (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-6-(benzyloxycarbonylamino)hexanoate CAS Name: (2S)-2-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-[[(2S)-2-amino-3-phenyl-propanoyl]amino]-6-(benzyloxycarbonylamino)hexanoic acid methyl ester Formula: C24H31N3O5 MolecularWeight: 441.52004

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C24H31N3O5/c1-31-23(29)21(27-22(28)20(25)16-18-10-4-2-5-11-18)14-8-9-15-26-24(30)32-17-19-12-6-3-7-13-19/h2-7,10-13,20-21H,8-9,14-17,25H2,1H3,(H,26,30)(H,27,28)/t20-,21-/m0/s1