2-azanyl-3-methoxy-3-oxidanylidene-propane-1-sulfonic acid; 5-ethoxy-2-[[5-ethoxy-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 2-azanyl-3-methoxy-3-oxidanylidene-propane-1-sulfonic acid; 5-ethoxy-2-[[5-ethoxy-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: 2-amino-3-methoxy-3-oxo-propane-1-sulfonic acid; 2-[[2-(benzyloxycarbonylamino)-5-ethoxy-5-oxo-pentanoyl]amino]-5-ethoxy-5-oxo-pentanoic acid CAS Name: 2-amino-3-methoxy-3-oxo-1-propanesulfonic acid; 5-ethoxy-2-[[5-ethoxy-1,5-dioxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-5-oxopentanoic acid IUPAC Name: 2-amino-3-methoxy-3-oxopropane-1-sulfonic acid; 5-ethoxy-2-[[5-ethoxy-5-oxo-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-5-oxopentanoic acid Traditional Name: 2-amino-3-keto-3-methoxy-propane-1-sulfonic acid; 2-[[2-(benzyloxycarbonylamino)-5-ethoxy-5-keto-pentanoyl]amino]-5-ethoxy-5-keto-valeric acid Formula: C26H39N3O14S MolecularWeight: 649.66456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)O)NC(=O)OCC1=CC=CC=C1.COC(=O)C(CS(=O)(=O)O)N

Isomeric SMILES

CCOC(=O)CCC(C(=O)NC(CCC(=O)OCC)C(=O)O)NC(=O)OCC1=CC=CC=C1.COC(=O)C(CS(=O)(=O)O)N

InChI

InChI=1S/C22H30N2O9.C4H9NO5S/c1-3-31-18(25)12-10-16(24-22(30)33-14-15-8-6-5-7-9-15)20(27)23-17(21(28)29)11-13-19(26)32-4-2;1-10-4(6)3(5)2-11(7,8)9/h5-9,16-17H,3-4,10-14H2,1-2H3,(H,23,27)(H,24,30)(H,28,29);3H,2,5H2,1H3,(H,7,8,9)