5-azanyl-2-[2-[[3-methyl-2-(2-sulfanylethanoylamino)butanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[2-[[3-methyl-2-(2-sulfanylethanoylamino)butanoyl]amino]ethanoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[2-[[3-methyl-2-[(2-sulfanylacetyl)amino]butanoyl]amino]acetyl]amino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[2-[[2-[(2-mercapto-1-oxoethyl)amino]-3-methyl-1-oxobutyl]amino]-1-oxoethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[2-[[3-methyl-2-[(2-sulfanylacetyl)amino]butanoyl]amino]acetyl]amino]-5-oxopentanoic acid Traditional Name: 5-amino-5-keto-2-[[2-[[2-[(2-mercaptoacetyl)amino]-3-methyl-butanoyl]amino]acetyl]amino]valeric acid Formula: C14H24N4O6S MolecularWeight: 376.42856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H24N4O6S/c1-7(2)12(18-11(21)6-25)13(22)16-5-10(20)17-8(14(23)24)3-4-9(15)19/h7-8,12,25H,3-6H2,1-2H3,(H2,15,19)(H,16,22)(H,17,20)(H,18,21)(H,23,24)