2-[[1-[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[[1-[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[[1-[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-methyl-butanoic acid CAS Name: 2-[[[1-[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[[1-[2-[(2-amino-3-hydroxypropanoyl)amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid Traditional Name: 2-[[1-[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-mercapto-propanoyl]prolyl]amino]-3-methyl-butyric acid Formula: C16H28N4O6S MolecularWeight: 404.48172

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)C(CS)NC(=O)C(CO)N

Isomeric SMILES

CC(C)C(C(=O)O)NC(=O)C1CCCN1C(=O)C(CS)NC(=O)C(CO)N

InChI

InChI=1S/C16H28N4O6S/c1-8(2)12(16(25)26)19-14(23)11-4-3-5-20(11)15(24)10(7-27)18-13(22)9(17)6-21/h8-12,21,27H,3-7,17H2,1-2H3,(H,18,22)(H,19,23)(H,25,26)