6-[2-[1,4-bis[(3-azanyl-4-oxidanylidene-4-phenylmethoxy-butyl)-phenylmethoxycarbonyl-amino]butan-2-yloxy]ethanoylamino]hexanoic acid

Systemtic Name: 6-[2-[1,4-bis[(3-azanyl-4-oxidanylidene-4-phenylmethoxy-butyl)-phenylmethoxycarbonyl-amino]butan-2-yloxy]ethanoylamino]hexanoic acid Openeye Name: 6-[[2-[3-[(3-amino-4-benzyloxy-4-oxo-butyl)-benzyloxycarbonyl-amino]-1-[[(3-amino-4-benzyloxy-4-oxo-butyl)-benzyloxycarbonyl-amino]methyl]propoxy]acetyl]amino]hexanoic acid CAS Name: 6-[[2-[1,4-bis[(3-amino-4-oxo-4-phenylmethoxybutyl)-phenylmethoxycarbonylamino]butan-2-yloxy]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-[1,4-bis[(3-amino-4-oxo-4-phenylmethoxybutyl)-phenylmethoxycarbonylamino]butan-2-yloxy]acetyl]amino]hexanoic acid Traditional Name: 6-[[2-[3-[(3-amino-4-benzoxy-4-keto-butyl)-carbobenzoxy-amino]-1-[[(3-amino-4-benzoxy-4-keto-butyl)-carbobenzoxy-amino]methyl]propoxy]acetyl]amino]hexanoic acid Formula: C50H63N5O12 MolecularWeight: 926.06152

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)NCCCCCC(=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)NCCCCCC(=O)O)C(=O)OCC4=CC=CC=C4)N

InChI

InChI=1S/C50H63N5O12/c51-43(47(59)64-33-38-16-6-1-7-17-38)26-30-54(49(61)66-35-40-20-10-3-11-21-40)29-25-42(63-37-45(56)53-28-15-5-14-24-46(57)58)32-55(50(62)67-36-41-22-12-4-13-23-41)31-27-44(52)48(60)65-34-39-18-8-2-9-19-39/h1-4,6-13,16-23,42-44H,5,14-15,24-37,51-52H2,(H,53,56)(H,57,58)