methyl (2S)-2-[[(5S,7R)-3-azanyl-1-adamantyl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(5S,7R)-3-azanyl-1-adamantyl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(5S,7R)-3-aminoadamantane-1-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[(5S,7R)-3-amino-1-adamantyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(5S,7R)-3-aminoadamantane-1-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(5S,7R)-3-aminoadamantane-1-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C23CC4CC(C2)CC(C4)(C3)N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)N

InChI

InChI=1S/C21H28N2O3/c1-26-18(24)17(8-14-5-3-2-4-6-14)23-19(25)20-9-15-7-16(10-20)12-21(22,11-15)13-20/h2-6,15-17H,7-13,22H2,1H3,(H,23,25)/t15-,16+,17-,20?,21?/m0/s1