(2S)-2-[[4-[(1-adamantylamino)methyl]phenyl]carbonylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[[4-[(1-adamantylamino)methyl]phenyl]carbonylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[4-[(1-adamantylamino)methyl]benzoyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[[4-[(1-adamantylamino)methyl]phenyl]-oxomethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[4-[(1-adamantylamino)methyl]benzoyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[4-[(1-adamantylamino)methyl]benzoyl]amino]-3-phenyl-propionic acid Formula: C27H32N2O3 MolecularWeight: 432.55458

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NCC4=CC=C(C=C4)C(=O)NC(CC5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NCC4=CC=C(C=C4)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C27H32N2O3/c30-25(29-24(26(31)32)13-18-4-2-1-3-5-18)23-8-6-19(7-9-23)17-28-27-14-20-10-21(15-27)12-22(11-20)16-27/h1-9,20-22,24,28H,10-17H2,(H,29,30)(H,31,32)/t20?,21?,22?,24-,27?/m0/s1