2-[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-sulfanyl-propanoyl]amino]ethanoylamino]pentanedioic acid

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-methyl-butanoyl)amino]-3-sulfanyl-propanoyl]amino]ethanoylamino]pentanedioic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-sulfanyl-propanoyl]amino]acetyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-[(2-amino-3-methyl-1-oxobutyl)amino]-3-mercapto-1-oxopropyl]amino]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-methylbutanoyl)amino]-3-sulfanylpropanoyl]amino]acetyl]amino]pentanedioic acid Traditional Name: 2-[[2-[[2-[(2-amino-3-methyl-butanoyl)amino]-3-mercapto-propanoyl]amino]acetyl]amino]glutaric acid Formula: C15H26N4O7S MolecularWeight: 406.45454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H26N4O7S/c1-7(2)12(16)14(24)19-9(6-27)13(23)17-5-10(20)18-8(15(25)26)3-4-11(21)22/h7-9,12,27H,3-6,16H2,1-2H3,(H,17,23)(H,18,20)(H,19,24)(H,21,22)(H,25,26)