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

Systemtic Name: 2-[1,4-bis[(3-azanyl-4-oxidanylidene-4-phenylmethoxy-butyl)-phenylmethoxycarbonyl-amino]butan-2-yloxy]ethanoic acid Openeye Name: 2-[3-[(3-amino-4-benzyloxy-4-oxo-butyl)-benzyloxycarbonyl-amino]-1-[[(3-amino-4-benzyloxy-4-oxo-butyl)-benzyloxycarbonyl-amino]methyl]propoxy]acetic acid CAS Name: 2-[1,4-bis[(3-amino-4-oxo-4-phenylmethoxybutyl)-phenylmethoxycarbonylamino]butan-2-yloxy]acetic acid IUPAC Name: 2-[1,4-bis[(3-amino-4-oxo-4-phenylmethoxybutyl)-phenylmethoxycarbonylamino]butan-2-yloxy]acetic acid Traditional Name: 2-[3-[(3-amino-4-benzoxy-4-keto-butyl)-carbobenzoxy-amino]-1-[[(3-amino-4-benzoxy-4-keto-butyl)-carbobenzoxy-amino]methyl]propoxy]acetic acid Formula: C44H52N4O11 MolecularWeight: 812.90388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCN(CCC(CN(CCC(C(=O)OCC2=CC=CC=C2)N)C(=O)OCC3=CC=CC=C3)OCC(=O)O)C(=O)OCC4=CC=CC=C4)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)C(CCN(CCC(CN(CCC(C(=O)OCC2=CC=CC=C2)N)C(=O)OCC3=CC=CC=C3)OCC(=O)O)C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C44H52N4O11/c45-38(41(51)56-28-33-13-5-1-6-14-33)22-25-47(43(53)58-30-35-17-9-3-10-18-35)24-21-37(55-32-40(49)50)27-48(44(54)59-31-36-19-11-4-12-20-36)26-23-39(46)42(52)57-29-34-15-7-2-8-16-34/h1-20,37-39H,21-32,45-46H2,(H,49,50)