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

Systemtic Name: ethyl (2S)-2-[3-[[(2S)-2-azanyl-3-phenyl-propanoyl]amino]propylsulfonylamino]-3-phenyl-propanoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C23H31N3O5S MolecularWeight: 461.57434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O5S/c1-2-31-23(28)21(17-19-12-7-4-8-13-19)26-32(29,30)15-9-14-25-22(27)20(24)16-18-10-5-3-6-11-18/h3-8,10-13,20-21,26H,2,9,14-17,24H2,1H3,(H,25,27)/t20-,21-/m0/s1