2-(2-azanylpropanoyl)-1-[3-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-1-ethoxy-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxylic acid

Systemtic Name: 2-(2-azanylpropanoyl)-1-[3-[2-(cyclopentylamino)-2-oxidanylidene-ethyl]sulfanyl-1-ethoxy-1-oxidanylidene-propan-2-yl]pyrrolidine-2-carboxylic acid Openeye Name: 2-(2-aminopropanoyl)-1-[1-[[2-(cyclopentylamino)-2-oxo-ethyl]sulfanylmethyl]-2-ethoxy-2-oxo-ethyl]pyrrolidine-2-carboxylic acid CAS Name: 2-(2-amino-1-oxopropyl)-1-[3-[[2-(cyclopentylamino)-2-oxoethyl]thio]-1-ethoxy-1-oxopropan-2-yl]-2-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-aminopropanoyl)-1-[3-[2-(cyclopentylamino)-2-oxoethyl]sulfanyl-1-ethoxy-1-oxopropan-2-yl]pyrrolidine-2-carboxylic acid Traditional Name: 2-alanyl-1-[1-[[[2-(cyclopentylamino)-2-keto-ethyl]thio]methyl]-2-ethoxy-2-keto-ethyl]proline Formula: C20H33N3O6S MolecularWeight: 443.55752

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC(=O)NC1CCCC1)N2CCCC2(C(=O)C(C)N)C(=O)O

Isomeric SMILES

CCOC(=O)C(CSCC(=O)NC1CCCC1)N2CCCC2(C(=O)C(C)N)C(=O)O

InChI

InChI=1S/C20H33N3O6S/c1-3-29-18(26)15(11-30-12-16(24)22-14-7-4-5-8-14)23-10-6-9-20(23,19(27)28)17(25)13(2)21/h13-15H,3-12,21H2,1-2H3,(H,22,24)(H,27,28)