ethyl (5S)-5-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propanoyl]oxyhex-2-ynoate

Systemtic Name: ethyl (5S)-5-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propanoyl]oxyhex-2-ynoate Openeye Name: ethyl (5S)-5-[(2R)-2-(tert-butoxycarbonylamino)-3-sulfanyl-propanoyl]oxyhex-2-ynoate CAS Name: (5S)-5-[(2R)-3-mercapto-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropoxy]-2-hexynoic acid ethyl ester IUPAC Name: ethyl (5S)-5-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoyl]oxyhex-2-ynoate Traditional Name: (5S)-5-[(2R)-2-(tert-butoxycarbonylamino)-3-mercapto-propanoyl]oxyhex-2-ynoic acid ethyl ester Formula: C16H25NO6S MolecularWeight: 359.4378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C#CCC(C)OC(=O)C(CS)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C#CC[C@H](C)OC(=O)[C@H](CS)NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H25NO6S/c1-6-21-13(18)9-7-8-11(2)22-14(19)12(10-24)17-15(20)23-16(3,4)5/h11-12,24H,6,8,10H2,1-5H3,(H,17,20)/t11-,12-/m0/s1