5-azanyl-2-[[1-[2-methyl-3-(2-methylpropanoylsulfanyl)propanoyl]pyrrolidin-2-yl]carbonylamino]pentanoic acid

Systemtic Name: 5-azanyl-2-[[1-[2-methyl-3-(2-methylpropanoylsulfanyl)propanoyl]pyrrolidin-2-yl]carbonylamino]pentanoic acid Openeye Name: 5-amino-2-[[1-[2-methyl-3-(2-methylpropanoylsulfanyl)propanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid CAS Name: 5-amino-2-[[[1-[2-methyl-3-[(2-methyl-1-oxopropyl)thio]-1-oxopropyl]-2-pyrrolidinyl]-oxomethyl]amino]pentanoic acid IUPAC Name: 5-amino-2-[[1-[2-methyl-3-(2-methylpropanoylsulfanyl)propanoyl]pyrrolidine-2-carbonyl]amino]pentanoic acid Traditional Name: 5-amino-2-[[1-[3-(isobutyrylthio)-2-methyl-propanoyl]prolyl]amino]valeric acid Formula: C18H31N3O5S MolecularWeight: 401.52084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(CCCN)C(=O)O

Isomeric SMILES

CC(C)C(=O)SCC(C)C(=O)N1CCCC1C(=O)NC(CCCN)C(=O)O

InChI

InChI=1S/C18H31N3O5S/c1-11(2)18(26)27-10-12(3)16(23)21-9-5-7-14(21)15(22)20-13(17(24)25)6-4-8-19/h11-14H,4-10,19H2,1-3H3,(H,20,22)(H,24,25)