methyl (2S)-2-[[(2S)-2-(1-adamantylcarbonylamino)propanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-(1-adamantylcarbonylamino)propanoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2S)-2-[[1-adamantyl(oxo)methyl]amino]-1-oxopropyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2S)-2-(adamantane-1-carbonylamino)propanoyl]amino]-3-methyl-butyric acid methyl ester Formula: C20H32N2O4 MolecularWeight: 364.47908

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C(C)NC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C20H32N2O4/c1-11(2)16(18(24)26-4)22-17(23)12(3)21-19(25)20-8-13-5-14(9-20)7-15(6-13)10-20/h11-16H,5-10H2,1-4H3,(H,21,25)(H,22,23)/t12-,13?,14?,15?,16-,20?/m0/s1