O7-(phenylmethyl) O1-prop-2-enyl (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-heptanedioate

Systemtic Name: O7-(phenylmethyl) O1-prop-2-enyl (3R,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxidanyl-heptanedioate Openeye Name: O1-allyl O7-benzyl (3R,4S)-4-(tert-butoxycarbonylamino)-3-hydroxy-heptanedioate CAS Name: (3R,4S)-3-hydroxy-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]heptanedioic acid O7-(phenylmethyl) ester O1-prop-2-enyl ester IUPAC Name: 7-O-benzyl 1-O-prop-2-enyl (3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]heptanedioate Traditional Name: (3R,4S)-4-(tert-butoxycarbonylamino)-3-hydroxy-pimelic acid O1-allyl ester O7-benzyl ester Formula: C22H31NO7 MolecularWeight: 421.48404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCC(=O)OCC1=CC=CC=C1)C(CC(=O)OCC=C)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCC(=O)OCC1=CC=CC=C1)[C@@H](CC(=O)OCC=C)O

InChI

InChI=1S/C22H31NO7/c1-5-13-28-20(26)14-18(24)17(23-21(27)30-22(2,3)4)11-12-19(25)29-15-16-9-7-6-8-10-16/h5-10,17-18,24H,1,11-15H2,2-4H3,(H,23,27)/t17-,18+/m0/s1