(2S)-2-[2-ethanoyloctanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxy-propanoic acid

Systemtic Name: (2S)-2-[2-ethanoyloctanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxy-propanoic acid Openeye Name: (2S)-2-[2-acetyloctanoyl-[(4-methoxyphenyl)methyl]amino]-3-benzyloxy-propanoic acid CAS Name: (2S)-2-[(2-acetyl-1-oxooctyl)-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropanoic acid IUPAC Name: (2S)-2-[2-acetyloctanoyl-[(4-methoxyphenyl)methyl]amino]-3-phenylmethoxypropanoic acid Traditional Name: (2S)-2-[2-acetyloctanoyl(p-anisyl)amino]-3-benzoxy-propionic acid Formula: C28H37NO6 MolecularWeight: 483.59648

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)C)C(=O)N(CC1=CC=C(C=C1)OC)C(COCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCCCCCC(C(=O)C)C(=O)N(CC1=CC=C(C=C1)OC)[C@@H](COCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C28H37NO6/c1-4-5-6-10-13-25(21(2)30)27(31)29(18-22-14-16-24(34-3)17-15-22)26(28(32)33)20-35-19-23-11-8-7-9-12-23/h7-9,11-12,14-17,25-26H,4-6,10,13,18-20H2,1-3H3,(H,32,33)/t25?,26-/m0/s1