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

Systemtic Name: 2-[[2-[2-(2-azanylpropanoylamino)propanoylamino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoic acid Openeye Name: 2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-sulfanyl-propanoyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-sulfanylpropanoyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[2-[2-(alanylamino)propanoylamino]-3-mercapto-propanoyl]amino]-3-methyl-butyric acid Formula: C14H26N4O5S MolecularWeight: 362.44504

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H26N4O5S/c1-6(2)10(14(22)23)18-13(21)9(5-24)17-12(20)8(4)16-11(19)7(3)15/h6-10,24H,5,15H2,1-4H3,(H,16,19)(H,17,20)(H,18,21)(H,22,23)