(2R)-2-[4-(phenylmethoxycarbonylamino)butanoylamino]-3-(phenylmethylsulfanyl)propanoic acid

Systemtic Name: (2R)-2-[4-(phenylmethoxycarbonylamino)butanoylamino]-3-(phenylmethylsulfanyl)propanoic acid Openeye Name: (2R)-2-[4-(benzyloxycarbonylamino)butanoylamino]-3-benzylsulfanyl-propanoic acid CAS Name: (2R)-2-[[1-oxo-4-(phenylmethoxycarbonylamino)butyl]amino]-3-(phenylmethylthio)propanoic acid IUPAC Name: (2R)-3-benzylsulfanyl-2-[4-(phenylmethoxycarbonylamino)butanoylamino]propanoic acid Traditional Name: (2R)-2-[4-(benzyloxycarbonylamino)butanoylamino]-3-(benzylthio)propionic acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCC(=O)NC(CSCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCC(=O)N[C@@H](CSCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C22H26N2O5S/c25-20(12-7-13-23-22(28)29-14-17-8-3-1-4-9-17)24-19(21(26)27)16-30-15-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,23,28)(H,24,25)(H,26,27)/t19-/m0/s1