2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(phenylmethoxycarbonylamino)ethylsulfonyl]propanoate

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(phenylmethoxycarbonylamino)ethylsulfonyl]propanoate Openeye Name: 3-[2-(benzyloxycarbonylamino)ethylsulfonyl]-2-(tert-butoxycarbonylamino)propanoate CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[2-(phenylmethoxycarbonylamino)ethylsulfonyl]propanoate IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[2-(phenylmethoxycarbonylamino)ethylsulfonyl]propanoate Traditional Name: 3-[2-(benzyloxycarbonylamino)ethylsulfonyl]-2-(tert-butoxycarbonylamino)propionate Formula: C18H25N2O8S- MolecularWeight: 429.4647

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1)C(=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC(CS(=O)(=O)CCNC(=O)OCC1=CC=CC=C1)C(=O)[O-]

InChI

InChI=1S/C18H26N2O8S/c1-18(2,3)28-17(24)20-14(15(21)22)12-29(25,26)10-9-19-16(23)27-11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,19,23)(H,20,24)(H,21,22)/p-1