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2-[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]decanedioate

2-[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]decanedioate

Systemtic Name:2-[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]decanedioate
Openeye Name:2-[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]decanedioate
CAS Name:2-[(2S)-2-benzamido-3-(4-hydroxyphenyl)-1-oxopropyl]decanedioate
IUPAC Name:2-[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]decanedioate
Traditional Name:2-[(2S)-2-benzamido-3-(4-hydroxyphenyl)propanoyl]sebacate
Formula: C26H29NO7-2
MolecularWeight: 467.51096
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CC2=CC=C(C=C2)O)C(=O)C(CCCCCCCC(=O)[O-])C(=O)[O-]


Isomeric SMILES

C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)C(CCCCCCCC(=O)[O-])C(=O)[O-]


InChI

InChI=1S/C26H31NO7/c28-20-15-13-18(14-16-20)17-22(27-25(32)19-9-5-4-6-10-19)24(31)21(26(33)34)11-7-2-1-3-8-12-23(29)30/h4-6,9-10,13-16,21-22,28H,1-3,7-8,11-12,17H2,(H,27,32)(H,29,30)(H,33,34)/p-2/t21?,22-/m0/s1


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