(3S)-3-[[4-[(1-adamantylcarbonylamino)methyl]phenyl]carbonylamino]-4-azido-butanoic acid

Systemtic Name: (3S)-3-[[4-[(1-adamantylcarbonylamino)methyl]phenyl]carbonylamino]-4-azido-butanoic acid Openeye Name: (3S)-3-[[4-[(adamantane-1-carbonylamino)methyl]benzoyl]amino]-4-azido-butanoic acid CAS Name: (3S)-3-[[[4-[[[1-adamantyl(oxo)methyl]amino]methyl]phenyl]-oxomethyl]amino]-4-azidobutanoic acid IUPAC Name: (3S)-3-[[4-[(adamantane-1-carbonylamino)methyl]benzoyl]amino]-4-azidobutanoic acid Traditional Name: (3S)-3-[[4-[(adamantane-1-carbonylamino)methyl]benzoyl]amino]-4-azido-butyric acid Formula: C23H29N5O4 MolecularWeight: 439.50746

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NC(CC(=O)O)CN=[N+]=[N-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)N[C@@H](CC(=O)O)CN=[N+]=[N-]

InChI

InChI=1S/C23H29N5O4/c24-28-26-13-19(8-20(29)30)27-21(31)18-3-1-14(2-4-18)12-25-22(32)23-9-15-5-16(10-23)7-17(6-15)11-23/h1-4,15-17,19H,5-13H2,(H,25,32)(H,27,31)(H,29,30)/t15?,16?,17?,19-,23?/m0/s1