2,6-bis(azanyl)-3,3-bis(2-azanylethanoyl)-2-(2-azanyl-3-sulfanyl-propanoyl)hexanoic acid

Systemtic Name: 2,6-bis(azanyl)-3,3-bis(2-azanylethanoyl)-2-(2-azanyl-3-sulfanyl-propanoyl)hexanoic acid Openeye Name: 2,6-diamino-3,3-bis(2-aminoacetyl)-2-(2-amino-3-sulfanyl-propanoyl)hexanoic acid CAS Name: 2,6-diamino-2-(2-amino-3-mercapto-1-oxopropyl)-3,3-bis(2-amino-1-oxoethyl)hexanoic acid IUPAC Name: 2,6-diamino-3,3-bis(2-aminoacetyl)-2-(2-amino-3-sulfanylpropanoyl)hexanoic acid Traditional Name: 2,6-diamino-2-(2-amino-3-mercapto-propanoyl)-3,3-diglycyl-hexanoic acid Formula: C13H25N5O5S MolecularWeight: 363.4331

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H25N5O5S/c14-3-1-2-12(8(19)4-15,9(20)5-16)13(18,11(22)23)10(21)7(17)6-24/h7,24H,1-6,14-18H2,(H,22,23)