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

Systemtic Name: 2-[[1-[2-[(2-azanyl-3-oxidanyl-propanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidin-2-yl]carbonylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[1-[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-sulfanyl-propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[[1-[2-[(2-amino-3-hydroxy-1-oxopropyl)amino]-3-mercapto-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[1-[2-[(2-amino-3-hydroxypropanoyl)amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[1-[2-[(2-amino-3-hydroxy-propanoyl)amino]-3-mercapto-propanoyl]prolyl]amino]-3-hydroxy-butyric acid Formula: C15H26N4O7S MolecularWeight: 406.45454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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