(4S)-4-[heptanoyl(phenyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid

Systemtic Name: (4S)-4-[heptanoyl(phenyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid Openeye Name: (4S)-5-(4-benzyloxyphenyl)-4-(N-heptanoylanilino)pentanoic acid CAS Name: (4S)-4-[N-(1-oxoheptyl)anilino]-5-(4-phenylmethoxyphenyl)pentanoic acid IUPAC Name: (4S)-4-(N-heptanoylanilino)-5-(4-phenylmethoxyphenyl)pentanoic acid Traditional Name: (4S)-5-(4-benzoxyphenyl)-4-(N-enanthylanilino)valeric acid Formula: C31H37NO4 MolecularWeight: 487.62978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)N(C1=CC=CC=C1)C(CCC(=O)O)CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(=O)N(C1=CC=CC=C1)[C@@H](CCC(=O)O)CC2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C31H37NO4/c1-2-3-4-11-16-30(33)32(27-14-9-6-10-15-27)28(19-22-31(34)35)23-25-17-20-29(21-18-25)36-24-26-12-7-5-8-13-26/h5-10,12-15,17-18,20-21,28H,2-4,11,16,19,22-24H2,1H3,(H,34,35)/t28-/m0/s1