2-[1,4-bis[3-[(4-azanyl-5-oxidanylidene-5-phenylmethoxy-pentyl)-phenylmethoxycarbonyl-amino]propyl-phenylmethoxycarbonyl-amino]butan-2-yloxy]ethanoic acid

Systemtic Name: 2-[1,4-bis[3-[(4-azanyl-5-oxidanylidene-5-phenylmethoxy-pentyl)-phenylmethoxycarbonyl-amino]propyl-phenylmethoxycarbonyl-amino]butan-2-yloxy]ethanoic acid Openeye Name: 2-[3-[3-[(4-amino-5-benzyloxy-5-oxo-pentyl)-benzyloxycarbonyl-amino]propyl-benzyloxycarbonyl-amino]-1-[[3-[(4-amino-5-benzyloxy-5-oxo-pentyl)-benzyloxycarbonyl-amino]propyl-benzyloxycarbonyl-amino]methyl]propoxy]acetic acid CAS Name: 2-[1,4-bis[3-[(4-amino-5-oxo-5-phenylmethoxypentyl)-phenylmethoxycarbonylamino]propyl-phenylmethoxycarbonylamino]butan-2-yloxy]acetic acid IUPAC Name: 2-[1,4-bis[3-[(4-amino-5-oxo-5-phenylmethoxypentyl)-phenylmethoxycarbonylamino]propyl-phenylmethoxycarbonylamino]butan-2-yloxy]acetic acid Traditional Name: 2-[3-[3-[(4-amino-5-benzoxy-5-keto-pentyl)-carbobenzoxy-amino]propyl-carbobenzoxy-amino]-1-[[3-[(4-amino-5-benzoxy-5-keto-pentyl)-carbobenzoxy-amino]propyl-carbobenzoxy-amino]methyl]propoxy]acetic acid Formula: C68H82N6O15 MolecularWeight: 1223.40988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCN(CCCN(CCC(CN(CCCN(CCCC(C(=O)OCC2=CC=CC=C2)N)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)OCC(=O)O)C(=O)OCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCCN(CCCN(CCC(CN(CCCN(CCCC(C(=O)OCC2=CC=CC=C2)N)C(=O)OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4)OCC(=O)O)C(=O)OCC5=CC=CC=C5)C(=O)OCC6=CC=CC=C6)N

InChI

InChI=1S/C68H82N6O15/c69-60(63(77)84-46-53-23-7-1-8-24-53)35-19-38-71(65(79)86-48-55-27-11-3-12-28-55)40-21-42-73(67(81)88-50-57-31-15-5-16-32-57)44-37-59(83-52-62(75)76)45-74(68(82)89-51-58-33-17-6-18-34-58)43-22-41-72(66(80)87-49-56-29-13-4-14-30-56)39-20-36-61(70)64(78)85-47-54-25-9-2-10-26-54/h1-18,23-34,59-61H,19-22,35-52,69-70H2,(H,75,76)