(2S)-2-[[(2R)-3-methyl-1-phenyl-butan-2-yl]oxycarbonylamino]hexanethioic S-acid

Systemtic Name: (2S)-2-[[(2R)-3-methyl-1-phenyl-butan-2-yl]oxycarbonylamino]hexanethioic S-acid Openeye Name: (2S)-2-[[(1R)-1-benzyl-2-methyl-propoxy]carbonylamino]hexanethioic S-acid CAS Name: (2S)-2-[[[(2R)-3-methyl-1-phenylbutan-2-yl]oxy-oxomethyl]amino]hexanethioic S-acid IUPAC Name: (2S)-2-[[(2R)-3-methyl-1-phenylbutan-2-yl]oxycarbonylamino]hexanethioic S-acid Traditional Name: (2S)-2-[[(1R)-1-benzyl-2-methyl-propoxy]carbonylamino]hexanethioic S-acid Formula: C18H27NO3S MolecularWeight: 337.47688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)S)NC(=O)OC(CC1=CC=CC=C1)C(C)C

Isomeric SMILES

CCCC[C@@H](C(=O)S)NC(=O)O[C@H](CC1=CC=CC=C1)C(C)C

InChI

InChI=1S/C18H27NO3S/c1-4-5-11-15(17(20)23)19-18(21)22-16(13(2)3)12-14-9-7-6-8-10-14/h6-10,13,15-16H,4-5,11-12H2,1-3H3,(H,19,21)(H,20,23)/t15-,16+/m0/s1