1-[4-[2-carboxy-4-(2-methylsulfanylethanoylamino)pyrrolidin-1-yl]-4-oxidanylidene-butanoyl]-3-(cyclopropylcarbonylamino)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[4-[2-carboxy-4-(2-methylsulfanylethanoylamino)pyrrolidin-1-yl]-4-oxidanylidene-butanoyl]-3-(cyclopropylcarbonylamino)pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-[2-carboxy-4-[(2-methylsulfanylacetyl)amino]pyrrolidin-1-yl]-4-oxo-butanoyl]-3-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylic acid CAS Name: 1-[4-[2-carboxy-4-[[2-(methylthio)-1-oxoethyl]amino]-1-pyrrolidinyl]-1,4-dioxobutyl]-3-[[cyclopropyl(oxo)methyl]amino]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-[2-carboxy-4-[(2-methylsulfanylacetyl)amino]pyrrolidin-1-yl]-4-oxobutanoyl]-3-(cyclopropanecarbonylamino)pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-[2-carboxy-4-[[2-(methylthio)acetyl]amino]pyrrolidino]-4-keto-butanoyl]-3-(cyclopropanecarbonylamino)proline Formula: C21H30N4O8S MolecularWeight: 498.5499

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Descriptors Computed from Structure

Canonical SMILES:

CSCC(=O)NC1CC(N(C1)C(=O)CCC(=O)N2CCC(C2C(=O)O)NC(=O)C3CC3)C(=O)O

Isomeric SMILES

CSCC(=O)NC1CC(N(C1)C(=O)CCC(=O)N2CCC(C2C(=O)O)NC(=O)C3CC3)C(=O)O

InChI

InChI=1S/C21H30N4O8S/c1-34-10-15(26)22-12-8-14(20(30)31)25(9-12)17(28)5-4-16(27)24-7-6-13(18(24)21(32)33)23-19(29)11-2-3-11/h11-14,18H,2-10H2,1H3,(H,22,26)(H,23,29)(H,30,31)(H,32,33)