2-[[2-[2-(2-azanylpropanoylamino)propanoylamino]-3-sulfanyl-propanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[2-(2-azanylpropanoylamino)propanoylamino]-3-sulfanyl-propanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-sulfanyl-propanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-sulfanylpropanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-[2-(alanylamino)propanoylamino]-3-mercapto-propanoyl]amino]glutaric acid Formula: C14H24N4O7S MolecularWeight: 392.42796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N4O7S/c1-6(15)11(21)16-7(2)12(22)18-9(5-26)13(23)17-8(14(24)25)3-4-10(19)20/h6-9,26H,3-5,15H2,1-2H3,(H,16,21)(H,17,23)(H,18,22)(H,19,20)(H,24,25)