(3S,4R)-3-[hexanoyl-(phenylmethyl)amino]-4-phenylmethoxy-undecanoic acid

Systemtic Name: (3S,4R)-3-[hexanoyl-(phenylmethyl)amino]-4-phenylmethoxy-undecanoic acid Openeye Name: (3S,4R)-3-[benzyl(hexanoyl)amino]-4-benzyloxy-undecanoic acid CAS Name: (3S,4R)-3-[1-oxohexyl-(phenylmethyl)amino]-4-phenylmethoxyundecanoic acid IUPAC Name: (3S,4R)-3-[benzyl(hexanoyl)amino]-4-phenylmethoxyundecanoic acid Traditional Name: (3S,4R)-4-benzoxy-3-[benzyl(caproyl)amino]undecanoic acid Formula: C31H45NO4 MolecularWeight: 495.6933

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C(CC(=O)O)N(CC1=CC=CC=C1)C(=O)CCCCC)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCC[C@H]([C@H](CC(=O)O)N(CC1=CC=CC=C1)C(=O)CCCCC)OCC2=CC=CC=C2

InChI

InChI=1S/C31H45NO4/c1-3-5-7-8-16-21-29(36-25-27-19-14-10-15-20-27)28(23-31(34)35)32(30(33)22-11-6-4-2)24-26-17-12-9-13-18-26/h9-10,12-15,17-20,28-29H,3-8,11,16,21-25H2,1-2H3,(H,34,35)/t28-,29+/m0/s1