ethyl (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]hexanoate

Systemtic Name: ethyl (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]hexanoate Openeye Name: ethyl (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoate CAS Name: (2S)-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-[[(2S)-4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]hexanoic acid ethyl ester IUPAC Name: ethyl (2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]hexanoate Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]-6-(tert-butoxycarbonylamino)hexanoic acid ethyl ester Formula: C26H41N3O7S MolecularWeight: 539.68464

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCCNC(=O)OC(C)(C)C)NC(=O)C(CCSC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)[C@H](CCCCNC(=O)OC(C)(C)C)NC(=O)[C@H](CCSC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C26H41N3O7S/c1-6-34-23(31)21(14-10-11-16-27-24(32)36-26(2,3)4)28-22(30)20(15-17-37-5)29-25(33)35-18-19-12-8-7-9-13-19/h7-9,12-13,20-21H,6,10-11,14-18H2,1-5H3,(H,27,32)(H,28,30)(H,29,33)/t20-,21-/m0/s1