O7-methyl O1-prop-2-enyl (4S)-2-(3-methylbut-2-enyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-heptanedioate

Systemtic Name: O7-methyl O1-prop-2-enyl (4S)-2-(3-methylbut-2-enyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanylidene-heptanedioate Openeye Name: O1-allyl O7-methyl (4S)-4-(tert-butoxycarbonylamino)-2-(3-methylbut-2-enyl)-3-oxo-heptanedioate CAS Name: (4S)-2-(3-methylbut-2-enyl)-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-oxoheptanedioic acid O7-methyl ester O1-prop-2-enyl ester IUPAC Name: 7-O-methyl 1-O-prop-2-enyl (4S)-2-(3-methylbut-2-enyl)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxoheptanedioate Traditional Name: (4S)-4-(tert-butoxycarbonylamino)-3-keto-2-(3-methylbut-2-enyl)pimelic acid O1-allyl ester O7-methyl ester Formula: C21H33NO7 MolecularWeight: 411.48922

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(C(=O)C(CCC(=O)OC)NC(=O)OC(C)(C)C)C(=O)OCC=C)C

Isomeric SMILES

CC(=CCC(C(=O)[C@H](CCC(=O)OC)NC(=O)OC(C)(C)C)C(=O)OCC=C)C

InChI

InChI=1S/C21H33NO7/c1-8-13-28-19(25)15(10-9-14(2)3)18(24)16(11-12-17(23)27-7)22-20(26)29-21(4,5)6/h8-9,15-16H,1,10-13H2,2-7H3,(H,22,26)/t15?,16-/m0/s1