2-[[2-[2-(2-azanylpropanoylamino)propanoylamino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[2-(2-azanylpropanoylamino)propanoylamino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-sulfanylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-[2-(alanylamino)propanoylamino]-3-mercapto-propanoyl]amino]-4-methyl-valeric acid Formula: C15H28N4O5S MolecularWeight: 376.47162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H28N4O5S/c1-7(2)5-10(15(23)24)18-14(22)11(6-25)19-13(21)9(4)17-12(20)8(3)16/h7-11,25H,5-6,16H2,1-4H3,(H,17,20)(H,18,22)(H,19,21)(H,23,24)