methyl 2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanethioyl]amino]ethanoate

Systemtic Name: methyl 2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanethioyl]amino]ethanoate Openeye Name: methyl 2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-pentanethioyl]amino]acetate CAS Name: 2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)-1-sulfanylidenepentyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanethioyl]amino]acetate Traditional Name: 2-[[(2S)-2-(benzyloxycarbonylamino)-3-methyl-pentanethioyl]amino]acetic acid methyl ester Formula: C17H24N2O4S MolecularWeight: 352.44846

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=S)NCC(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(C)[C@@H](C(=S)NCC(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H24N2O4S/c1-4-12(2)15(16(24)18-10-14(20)22-3)19-17(21)23-11-13-8-6-5-7-9-13/h5-9,12,15H,4,10-11H2,1-3H3,(H,18,24)(H,19,21)/t12?,15-/m0/s1