2-[[5-azanyl-2-[2-(2-azanylpropanoylamino)propanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: 2-[[5-azanyl-2-[2-(2-azanylpropanoylamino)propanoylamino]-5-oxidanylidene-pentanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: 2-[[5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxo-pentanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: 2-[[5-amino-2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-1,5-dioxopentyl]amino]-3-mercaptopropanoic acid IUPAC Name: 2-[[5-amino-2-[2-(2-aminopropanoylamino)propanoylamino]-5-oxopentanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: 2-[[2-[2-(alanylamino)propanoylamino]-5-amino-5-keto-pentanoyl]amino]-3-mercapto-propionic acid Formula: C14H25N5O6S MolecularWeight: 391.4432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H25N5O6S/c1-6(15)11(21)17-7(2)12(22)18-8(3-4-10(16)20)13(23)19-9(5-26)14(24)25/h6-9,26H,3-5,15H2,1-2H3,(H2,16,20)(H,17,21)(H,18,22)(H,19,23)(H,24,25)