2-azanyl-6-[[2-oxidanyl-4-(phenylmethoxycarbonylamino)butyl]-phenylmethoxycarbonyl-amino]hexanoic acid

Systemtic Name: 2-azanyl-6-[[2-oxidanyl-4-(phenylmethoxycarbonylamino)butyl]-phenylmethoxycarbonyl-amino]hexanoic acid Openeye Name: 2-amino-6-[benzyloxycarbonyl-[4-(benzyloxycarbonylamino)-2-hydroxy-butyl]amino]hexanoic acid CAS Name: 2-amino-6-[[2-hydroxy-4-(phenylmethoxycarbonylamino)butyl]-phenylmethoxycarbonylamino]hexanoic acid IUPAC Name: 2-amino-6-[[2-hydroxy-4-(phenylmethoxycarbonylamino)butyl]-phenylmethoxycarbonylamino]hexanoic acid Traditional Name: 2-amino-6-[[4-(benzyloxycarbonylamino)-2-hydroxy-butyl]-carbobenzoxy-amino]hexanoic acid Formula: C26H35N3O7 MolecularWeight: 501.572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCC(CN(CCCCC(C(=O)O)N)C(=O)OCC2=CC=CC=C2)O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCC(CN(CCCCC(C(=O)O)N)C(=O)OCC2=CC=CC=C2)O

InChI

InChI=1S/C26H35N3O7/c27-23(24(31)32)13-7-8-16-29(26(34)36-19-21-11-5-2-6-12-21)17-22(30)14-15-28-25(33)35-18-20-9-3-1-4-10-20/h1-6,9-12,22-23,30H,7-8,13-19,27H2,(H,28,33)(H,31,32)