2-[[3-[[6-azanyl-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-1-adamantyl]amino]ethanoic acid

Systemtic Name: 2-[[3-[[6-azanyl-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-1-adamantyl]amino]ethanoic acid Openeye Name: 2-[[3-[[6-amino-2-(benzyloxycarbonylamino)hexanoyl]amino]-1-adamantyl]amino]acetic acid CAS Name: 2-[[3-[[6-amino-1-oxo-2-(phenylmethoxycarbonylamino)hexyl]amino]-1-adamantyl]amino]acetic acid IUPAC Name: 2-[[3-[[6-amino-2-(phenylmethoxycarbonylamino)hexanoyl]amino]-1-adamantyl]amino]acetic acid Traditional Name: 2-[[3-[[6-amino-2-(benzyloxycarbonylamino)hexanoyl]amino]-1-adamantyl]amino]acetic acid Formula: C26H38N4O5 MolecularWeight: 486.60372

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)NC(=O)C(CCCCN)NC(=O)OCC4=CC=CC=C4)NCC(=O)O

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)NC(=O)C(CCCCN)NC(=O)OCC4=CC=CC=C4)NCC(=O)O

InChI

InChI=1S/C26H38N4O5/c27-9-5-4-8-21(29-24(34)35-16-18-6-2-1-3-7-18)23(33)30-26-13-19-10-20(14-26)12-25(11-19,17-26)28-15-22(31)32/h1-3,6-7,19-21,28H,4-5,8-17,27H2,(H,29,34)(H,30,33)(H,31,32)