2-(4-azanylbutyl)-3-oxidanylidene-2-(phenylmethoxycarbonylamino)heptadecanoic acid

Systemtic Name: 2-(4-azanylbutyl)-3-oxidanylidene-2-(phenylmethoxycarbonylamino)heptadecanoic acid Openeye Name: 2-(4-aminobutyl)-2-(benzyloxycarbonylamino)-3-oxo-heptadecanoic acid CAS Name: 2-(4-aminobutyl)-3-oxo-2-(phenylmethoxycarbonylamino)heptadecanoic acid IUPAC Name: 2-(4-aminobutyl)-3-oxo-2-(phenylmethoxycarbonylamino)heptadecanoic acid Traditional Name: 2-(4-aminobutyl)-2-(benzyloxycarbonylamino)-3-keto-heptadecanoic acid Formula: C29H48N2O5 MolecularWeight: 504.70182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(=O)C(CCCCN)(C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCC(=O)C(CCCCN)(C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C29H48N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-16-21-26(32)29(27(33)34,22-17-18-23-30)31-28(35)36-24-25-19-14-13-15-20-25/h13-15,19-20H,2-12,16-18,21-24,30H2,1H3,(H,31,35)(H,33,34)