(2S)-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-(4-pyridin-2-ylphenyl)propanoic acid

Systemtic Name: (2S)-2-[(3-methoxycarbonyl-1-adamantyl)carbonylamino]-3-(4-pyridin-2-ylphenyl)propanoic acid Openeye Name: (2S)-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-[4-(2-pyridyl)phenyl]propanoic acid CAS Name: (2S)-2-[[(3-methoxycarbonyl-1-adamantyl)-oxomethyl]amino]-3-[4-(2-pyridinyl)phenyl]propanoic acid IUPAC Name: (2S)-2-[(3-methoxycarbonyladamantane-1-carbonyl)amino]-3-(4-pyridin-2-ylphenyl)propanoic acid Traditional Name: (2S)-2-[(3-carbomethoxyadamantane-1-carbonyl)amino]-3-[4-(2-pyridyl)phenyl]propionic acid Formula: C27H30N2O5 MolecularWeight: 462.5375

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)NC(CC4=CC=C(C=C4)C5=CC=CC=N5)C(=O)O

Isomeric SMILES

COC(=O)C12CC3CC(C1)CC(C3)(C2)C(=O)N[C@@H](CC4=CC=C(C=C4)C5=CC=CC=N5)C(=O)O

InChI

InChI=1S/C27H30N2O5/c1-34-25(33)27-14-18-10-19(15-27)13-26(12-18,16-27)24(32)29-22(23(30)31)11-17-5-7-20(8-6-17)21-4-2-3-9-28-21/h2-9,18-19,22H,10-16H2,1H3,(H,29,32)(H,30,31)/t18?,19?,22-,26?,27?/m0/s1