4-azanyl-2-[[2-[2-(2-azanylpropanoylamino)propanoylamino]-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-azanyl-2-[[2-[2-(2-azanylpropanoylamino)propanoylamino]-3-sulfanyl-propanoyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-sulfanyl-propanoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-sulfanylpropanoyl]amino]-4-oxobutanoic acid Traditional Name: 2-[[2-[2-(alanylamino)propanoylamino]-3-mercapto-propanoyl]amino]-4-amino-4-keto-butyric acid Formula: C13H23N5O6S MolecularWeight: 377.41662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H23N5O6S/c1-5(14)10(20)16-6(2)11(21)18-8(4-25)12(22)17-7(13(23)24)3-9(15)19/h5-8,25H,3-4,14H2,1-2H3,(H2,15,19)(H,16,20)(H,17,22)(H,18,21)(H,23,24)