(2R)-3-ethylsulfanyl-2-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid

Systemtic Name: (2R)-3-ethylsulfanyl-2-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid Openeye Name: (2R)-2-[[(2R)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-ethylsulfanyl-propanoic acid CAS Name: (2R)-3-(ethylthio)-2-[[(2R)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]propanoic acid IUPAC Name: (2R)-3-ethylsulfanyl-2-[[(2R)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanoic acid Traditional Name: (2R)-2-[[(2R)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(ethylthio)propionic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

CCSCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCSC[C@@H](C(=O)O)NC(=O)[C@@H](CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H26N2O5S/c1-2-30-15-19(21(26)27)23-20(25)18(13-16-9-5-3-6-10-16)24-22(28)29-14-17-11-7-4-8-12-17/h3-12,18-19H,2,13-15H2,1H3,(H,23,25)(H,24,28)(H,26,27)/t18-,19+/m1/s1