(2S)-4-methylsulfanyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]butanoic acid

Systemtic Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]butanoic acid Openeye Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)pentanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-4-(methylthio)-2-[[(2S)-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]butanoic acid IUPAC Name: (2S)-4-methylsulfanyl-2-[[(2S)-2-(phenylmethoxycarbonylamino)pentanoyl]amino]butanoic acid Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)pentanoyl]amino]-4-(methylthio)butyric acid Formula: C18H26N2O5S MolecularWeight: 382.47444

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(=O)NC(CCSC)C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C18H26N2O5S/c1-3-7-14(16(21)19-15(17(22)23)10-11-26-2)20-18(24)25-12-13-8-5-4-6-9-13/h4-6,8-9,14-15H,3,7,10-12H2,1-2H3,(H,19,21)(H,20,24)(H,22,23)/t14-,15-/m0/s1