3-(2,2-dimethoxyethoxy)-2-[[4-ethanoylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid

Systemtic Name: 3-(2,2-dimethoxyethoxy)-2-[[4-ethanoylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]propanoic acid Openeye Name: 2-[[4-acetylsulfanyl-2-(benzyloxycarbonylamino)butanoyl]amino]-3-(2,2-dimethoxyethoxy)propanoic acid CAS Name: 2-[[4-(acetylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-3-(2,2-dimethoxyethoxy)propanoic acid IUPAC Name: 2-[[4-acetylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-3-(2,2-dimethoxyethoxy)propanoic acid Traditional Name: 2-[[4-(acetylthio)-2-(benzyloxycarbonylamino)butanoyl]amino]-3-(2,2-dimethoxyethoxy)propionic acid Formula: C21H30N2O9S MolecularWeight: 486.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(C(=O)NC(COCC(OC)OC)C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCCC(C(=O)NC(COCC(OC)OC)C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H30N2O9S/c1-14(24)33-10-9-16(23-21(28)32-11-15-7-5-4-6-8-15)19(25)22-17(20(26)27)12-31-13-18(29-2)30-3/h4-8,16-18H,9-13H2,1-3H3,(H,22,25)(H,23,28)(H,26,27)