2-[[2-(4-azanylbutanoylamino)-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]amino]ethanoic acid

Systemtic Name: 2-[[2-(4-azanylbutanoylamino)-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]amino]ethanoic acid Openeye Name: 2-[[2-(4-aminobutanoylamino)-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]amino]acetic acid CAS Name: 2-[[2-[(4-amino-1-oxobutyl)amino]-3-[(4-methoxyphenyl)methylthio]-1-oxopropyl]amino]acetic acid IUPAC Name: 2-[[2-(4-aminobutanoylamino)-3-[(4-methoxyphenyl)methylsulfanyl]propanoyl]amino]acetic acid Traditional Name: 2-[[2-(4-aminobutanoylamino)-3-(p-anisylthio)propanoyl]amino]acetic acid Formula: C17H25N3O5S MolecularWeight: 383.4625

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSCC(C(=O)NCC(=O)O)NC(=O)CCCN

Isomeric SMILES

COC1=CC=C(C=C1)CSCC(C(=O)NCC(=O)O)NC(=O)CCCN

InChI

InChI=1S/C17H25N3O5S/c1-25-13-6-4-12(5-7-13)10-26-11-14(17(24)19-9-16(22)23)20-15(21)3-2-8-18/h4-7,14H,2-3,8-11,18H2,1H3,(H,19,24)(H,20,21)(H,22,23)