2-azanyl-3-[3,4-bis(2-azanylethanoyl)-2-(2-azanyl-3-sulfanyl-propanoyl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3,4-bis(2-azanylethanoyl)-2-(2-azanyl-3-sulfanyl-propanoyl)phenyl]propanoic acid Openeye Name: 2-amino-3-[3,4-bis(2-aminoacetyl)-2-(2-amino-3-sulfanyl-propanoyl)phenyl]propanoic acid CAS Name: 2-amino-3-[2-(2-amino-3-mercapto-1-oxopropyl)-3,4-bis(2-amino-1-oxoethyl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[3,4-bis(2-aminoacetyl)-2-(2-amino-3-sulfanylpropanoyl)phenyl]propanoic acid Traditional Name: 2-amino-3-[2-(2-amino-3-mercapto-propanoyl)-3,4-diglycyl-phenyl]propionic acid Formula: C16H22N4O5S MolecularWeight: 382.43468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1CC(C(=O)O)N)C(=O)C(CS)N)C(=O)CN)C(=O)CN

Isomeric SMILES

C1=CC(=C(C(=C1CC(C(=O)O)N)C(=O)C(CS)N)C(=O)CN)C(=O)CN

InChI

InChI=1S/C16H22N4O5S/c17-4-11(21)8-2-1-7(3-9(19)16(24)25)13(14(8)12(22)5-18)15(23)10(20)6-26/h1-2,9-10,26H,3-6,17-20H2,(H,24,25)