methyl 2-[4-[[(2S)-2-acetamido-3-(4-carboxyoxy-3-oxidanyl-phenyl)propanoyl]amino]butoxy]-6-oxidanyl-benzoate

Systemtic Name: methyl 2-[4-[[(2S)-2-acetamido-3-(4-carboxyoxy-3-oxidanyl-phenyl)propanoyl]amino]butoxy]-6-oxidanyl-benzoate Openeye Name: methyl 2-[4-[[(2S)-2-acetamido-3-(4-carboxyoxy-3-hydroxy-phenyl)propanoyl]amino]butoxy]-6-hydroxy-benzoate CAS Name: 2-[4-[[(2S)-2-acetamido-3-(4-carboxyoxy-3-hydroxyphenyl)-1-oxopropyl]amino]butoxy]-6-hydroxybenzoic acid methyl ester IUPAC Name: methyl 2-[4-[[(2S)-2-acetamido-3-(4-carboxyoxy-3-hydroxyphenyl)propanoyl]amino]butoxy]-6-hydroxybenzoate Traditional Name: 2-[4-[[(2S)-2-acetamido-3-(4-carboxyoxy-3-hydroxy-phenyl)propanoyl]amino]butoxy]-6-hydroxy-benzoic acid methyl ester Formula: C24H28N2O10 MolecularWeight: 504.48652

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC(=C(C=C1)OC(=O)O)O)C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O

Isomeric SMILES

CC(=O)N[C@@H](CC1=CC(=C(C=C1)OC(=O)O)O)C(=O)NCCCCOC2=CC=CC(=C2C(=O)OC)O

InChI

InChI=1S/C24H28N2O10/c1-14(27)26-16(12-15-8-9-19(18(29)13-15)36-24(32)33)22(30)25-10-3-4-11-35-20-7-5-6-17(28)21(20)23(31)34-2/h5-9,13,16,28-29H,3-4,10-12H2,1-2H3,(H,25,30)(H,26,27)(H,32,33)/t16-/m0/s1