4-methylsulfanyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid Openeye Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 4-(methylthio)-2-[[(2S)-1-oxo-3-phenyl-2-(phenylmethoxycarbonylamino)propyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]butanoic acid Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid Formula: C22H26N2O5S MolecularWeight: 430.51724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S/c1-30-13-12-18(21(26)27)23-20(25)19(14-16-8-4-2-5-9-16)24-22(28)29-15-17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3,(H,23,25)(H,24,28)(H,26,27)/t18?,19-/m0/s1