methyl N-[4-[1-[4-(methoxycarbonylamino)phenyl]-3-[[(2S)-2-oxidanyl-3-phenoxy-propyl]amino]propyl]phenyl]carbamate; sulfuric acid

Systemtic Name: methyl N-[4-[1-[4-(methoxycarbonylamino)phenyl]-3-[[(2S)-2-oxidanyl-3-phenoxy-propyl]amino]propyl]phenyl]carbamate; sulfuric acid Openeye Name: methyl N-[4-[3-[[(2S)-2-hydroxy-3-phenoxy-propyl]amino]-1-[4-(methoxycarbonylamino)phenyl]propyl]phenyl]carbamate; sulfuric acid CAS Name: N-[4-[3-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-[4-(methoxycarbonylamino)phenyl]propyl]phenyl]carbamic acid methyl ester; sulfuric acid IUPAC Name: methyl N-[4-[3-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-1-[4-(methoxycarbonylamino)phenyl]propyl]phenyl]carbamate; sulfuric acid Traditional Name: N-[4-[1-[4-(carbomethoxyamino)phenyl]-3-[[(2S)-2-hydroxy-3-phenoxy-propyl]amino]propyl]phenyl]carbamic acid methyl ester; sulfuric acid Formula: C28H35N3O10S MolecularWeight: 605.6566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=CC=C(C=C1)C(CCNCC(COC2=CC=CC=C2)O)C3=CC=C(C=C3)NC(=O)OC.OS(=O)(=O)O

Isomeric SMILES

COC(=O)NC1=CC=C(C=C1)C(CCNC[C@@H](COC2=CC=CC=C2)O)C3=CC=C(C=C3)NC(=O)OC.OS(=O)(=O)O

InChI

InChI=1S/C28H33N3O6.H2O4S/c1-35-27(33)30-22-12-8-20(9-13-22)26(21-10-14-23(15-11-21)31-28(34)36-2)16-17-29-18-24(32)19-37-25-6-4-3-5-7-25;1-5(2,3)4/h3-15,24,26,29,32H,16-19H2,1-2H3,(H,30,33)(H,31,34);(H2,1,2,3,4)/t24-;/m0./s1