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4-(2-carboxyethyl)-4-(phenylmethoxycarbonylamino)heptanedioic acid

4-(2-carboxyethyl)-4-(phenylmethoxycarbonylamino)heptanedioic acid

Systemtic Name:4-(2-carboxyethyl)-4-(phenylmethoxycarbonylamino)heptanedioic acid
Openeye Name:4-(benzyloxycarbonylamino)-4-(2-carboxyethyl)heptanedioic acid
CAS Name:4-(2-carboxyethyl)-4-(phenylmethoxycarbonylamino)heptanedioic acid
IUPAC Name:4-(2-carboxyethyl)-4-(phenylmethoxycarbonylamino)heptanedioic acid
Traditional Name:4-(benzyloxycarbonylamino)-4-(2-carboxyethyl)pimelic acid
Formula: C18H23NO8
MolecularWeight: 381.37712
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O


Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCC(=O)O)(CCC(=O)O)CCC(=O)O


InChI

InChI=1S/C18H23NO8/c20-14(21)6-9-18(10-7-15(22)23,11-8-16(24)25)19-17(26)27-12-13-4-2-1-3-5-13/h1-5H,6-12H2,(H,19,26)(H,20,21)(H,22,23)(H,24,25)


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