(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-pentanoate CAS Name: (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl (2S,3S)-3-methyl-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S,3S)-2-(benzyloxycarbonylamino)-3-methyl-valeric acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C23H26ClNO6 MolecularWeight: 447.90864

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OCC1=C2C(=CC(=C1)Cl)COCO2)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OCC1=C2C(=CC(=C1)Cl)COCO2)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C23H26ClNO6/c1-3-15(2)20(25-23(27)30-11-16-7-5-4-6-8-16)22(26)29-13-18-10-19(24)9-17-12-28-14-31-21(17)18/h4-10,15,20H,3,11-14H2,1-2H3,(H,25,27)/t15-,20-/m0/s1