4-[2-[[(2S)-2-azanyl-3-(4-methoxyphenyl)propanoyl]-methyl-carbamoyl]but-3-enoxy]butanoic acid

Systemtic Name: 4-[2-[[(2S)-2-azanyl-3-(4-methoxyphenyl)propanoyl]-methyl-carbamoyl]but-3-enoxy]butanoic acid Openeye Name: 4-[2-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-methyl-carbamoyl]but-3-enoxy]butanoic acid CAS Name: 4-[2-[[[(2S)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl]-methylamino]-oxomethyl]but-3-enoxy]butanoic acid IUPAC Name: 4-[2-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-methylcarbamoyl]but-3-enoxy]butanoic acid Traditional Name: 4-[2-[[(2S)-2-amino-3-(4-methoxyphenyl)propanoyl]-methyl-carbamoyl]but-3-enoxy]butyric acid Formula: C20H28N2O6 MolecularWeight: 392.44612

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)C(CC1=CC=C(C=C1)OC)N)C(=O)C(COCCCC(=O)O)C=C

Isomeric SMILES

CN(C(=O)[C@H](CC1=CC=C(C=C1)OC)N)C(=O)C(COCCCC(=O)O)C=C

InChI

InChI=1S/C20H28N2O6/c1-4-15(13-28-11-5-6-18(23)24)19(25)22(2)20(26)17(21)12-14-7-9-16(27-3)10-8-14/h4,7-10,15,17H,1,5-6,11-13,21H2,2-3H3,(H,23,24)/t15?,17-/m0/s1