3,4-bis(azanyl)-8-(phenylmethoxycarbonylamino)octanoic acid

Systemtic Name: 3,4-bis(azanyl)-8-(phenylmethoxycarbonylamino)octanoic acid Openeye Name: 3,4-diamino-8-(benzyloxycarbonylamino)octanoic acid CAS Name: 3,4-diamino-8-(phenylmethoxycarbonylamino)octanoic acid IUPAC Name: 3,4-diamino-8-(phenylmethoxycarbonylamino)octanoic acid Traditional Name: 3,4-diamino-8-(benzyloxycarbonylamino)caprylic acid Formula: C16H25N3O4 MolecularWeight: 323.3874

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCC(C(CC(=O)O)N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCCC(C(CC(=O)O)N)N

InChI

InChI=1S/C16H25N3O4/c17-13(14(18)10-15(20)21)8-4-5-9-19-16(22)23-11-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11,17-18H2,(H,19,22)(H,20,21)