6-[4-[[(2S)-2-acetamido-3-(4-azanyl-3-ethyl-phenyl)propanoyl]amino]butoxy]-2-oxidanyl-3-phenyl-benzoic acid

Systemtic Name: 6-[4-[[(2S)-2-acetamido-3-(4-azanyl-3-ethyl-phenyl)propanoyl]amino]butoxy]-2-oxidanyl-3-phenyl-benzoic acid Openeye Name: 6-[4-[[(2S)-2-acetamido-3-(4-amino-3-ethyl-phenyl)propanoyl]amino]butoxy]-2-hydroxy-3-phenyl-benzoic acid CAS Name: 6-[4-[[(2S)-2-acetamido-3-(4-amino-3-ethylphenyl)-1-oxopropyl]amino]butoxy]-2-hydroxy-3-phenylbenzoic acid IUPAC Name: 6-[4-[[(2S)-2-acetamido-3-(4-amino-3-ethylphenyl)propanoyl]amino]butoxy]-2-hydroxy-3-phenylbenzoic acid Traditional Name: 6-[4-[[(2S)-2-acetamido-3-(4-amino-3-ethyl-phenyl)propanoyl]amino]butoxy]-2-hydroxy-3-phenyl-benzoic acid Formula: C30H35N3O6 MolecularWeight: 533.6154

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)CC(C(=O)NCCCCOC2=C(C(=C(C=C2)C3=CC=CC=C3)O)C(=O)O)NC(=O)C)N

Isomeric SMILES

CCC1=C(C=CC(=C1)C[C@@H](C(=O)NCCCCOC2=C(C(=C(C=C2)C3=CC=CC=C3)O)C(=O)O)NC(=O)C)N

InChI

InChI=1S/C30H35N3O6/c1-3-21-17-20(11-13-24(21)31)18-25(33-19(2)34)29(36)32-15-7-8-16-39-26-14-12-23(22-9-5-4-6-10-22)28(35)27(26)30(37)38/h4-6,9-14,17,25,35H,3,7-8,15-16,18,31H2,1-2H3,(H,32,36)(H,33,34)(H,37,38)/t25-/m0/s1