5-azanyl-2-[[2-(2-azanylpropanoylamino)-3-sulfanyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[2-(2-azanylpropanoylamino)-3-sulfanyl-propanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-(2-aminopropanoylamino)-3-sulfanyl-propanoyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[(2-amino-1-oxopropyl)amino]-3-mercapto-1-oxopropyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-(2-aminopropanoylamino)-3-sulfanylpropanoyl]amino]-5-oxopentanoic acid Traditional Name: 2-[[2-(alanylamino)-3-mercapto-propanoyl]amino]-5-amino-5-keto-valeric acid Formula: C11H20N4O5S MolecularWeight: 320.3653

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CS)C(=O)NC(CCC(=O)N)C(=O)O)N

Isomeric SMILES

CC(C(=O)NC(CS)C(=O)NC(CCC(=O)N)C(=O)O)N

InChI

InChI=1S/C11H20N4O5S/c1-5(12)9(17)15-7(4-21)10(18)14-6(11(19)20)2-3-8(13)16/h5-7,21H,2-4,12H2,1H3,(H2,13,16)(H,14,18)(H,15,17)(H,19,20)