(3S)-3-(1-adamantylcarbonylamino)-3-(3-nitrophenyl)propanoate

Systemtic Name: (3S)-3-(1-adamantylcarbonylamino)-3-(3-nitrophenyl)propanoate Openeye Name: (3S)-3-(adamantane-1-carbonylamino)-3-(3-nitrophenyl)propanoate CAS Name: (3S)-3-[[1-adamantyl(oxo)methyl]amino]-3-(3-nitrophenyl)propanoate IUPAC Name: (3S)-3-(adamantane-1-carbonylamino)-3-(3-nitrophenyl)propanoate Traditional Name: (3S)-3-(adamantane-1-carbonylamino)-3-(3-nitrophenyl)propionate Formula: C20H23N2O5- MolecularWeight: 371.40702

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O5/c23-18(24)8-17(15-2-1-3-16(7-15)22(26)27)21-19(25)20-9-12-4-13(10-20)6-14(5-12)11-20/h1-3,7,12-14,17H,4-6,8-11H2,(H,21,25)(H,23,24)/p-1/t12?,13?,14?,17-,20?/m0/s1