methyl (2S)-2-[3-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]propylsulfonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[3-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]propylsulfonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[3-[[(2S)-2-amino-3-phenyl-propanoyl]amino]propylsulfonylamino]-3-phenyl-propanoate CAS Name: (2S)-2-[3-[[(2S)-2-amino-1-oxo-3-phenylpropyl]amino]propylsulfonylamino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propylsulfonylamino]-3-phenylpropanoate Traditional Name: (2S)-2-[3-[[(2S)-2-amino-3-phenyl-propanoyl]amino]propylsulfonylamino]-3-phenyl-propionic acid methyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NS(=O)(=O)CCCNC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NS(=O)(=O)CCCNC(=O)[C@H](CC2=CC=CC=C2)N

InChI

InChI=1S/C22H29N3O5S/c1-30-22(27)20(16-18-11-6-3-7-12-18)25-31(28,29)14-8-13-24-21(26)19(23)15-17-9-4-2-5-10-17/h2-7,9-12,19-20,25H,8,13-16,23H2,1H3,(H,24,26)/t19-,20-/m0/s1