N-[3-(3-Hydroxy-4-methoxyphenyl)propyl]-L-α-aspartyl-L-phenylalanine 2-methyl ester

CAS Registry Number®

245650-17-3
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CAS Name

N-[3-(3-Hydroxy-4-methoxyphenyl)propyl]-L-α-aspartyl-L-phenylalanine 2-methyl ester

Molecular Formula

C24H30N2O7

Molecular Mass

458.50

Cite this Page

N-[3-(3-Hydroxy-4-methoxyphenyl)propyl]-L-α-aspartyl-L-phenylalanine 2-methyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?ref=245650-17-3 (retrieved 2024-03-29) (CAS RN: 245650-17-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C24H30N2O7/c1-32-21-11-10-17(14-20(21)27)9-6-12-25-18(15-22(28)29)23(30)26-19(24(31)33-2)13-16-7-4-3-5-8-16/h3-5,7-8,10-11,14,18-19,25,27H,6,9,12-13,15H2,1-2H3,(H,26,30)(H,28,29)/t18-,19-/m0/s1

InChIKey

InChIKey=YTKBWWKAVMSYHE-OALUTQOASA-N

SMILES

[C@@H](CC1=CC=CC=C1)(NC([C@@H](NCCCC2=CC(O)=C(OC)C=C2)CC(O)=O)=O)C(OC)=O

Canonical SMILES

O=C(O)CC(NCCCC1=CC=C(OC)C(O)=C1)C(=O)NC(C(=O)OC)CC=2C=CC=CC2

Other Names for this Substance

  • L-Phenylalanine, N-[3-(3-hydroxy-4-methoxyphenyl)propyl]-L-α-aspartyl-, 2-methyl ester
  • N-[3-(3-Hydroxy-4-methoxyphenyl)propyl]-L-α-aspartyl-L-phenylalanine 2-methyl ester

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