[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbonylamino)propanoate

Systemtic Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxidanylidene-ethyl] 3-(1-adamantylcarbonylamino)propanoate Openeye Name: [2-[[(1S)-1-methylpropyl]carbamoylamino]-2-oxo-ethyl] 3-(adamantane-1-carbonylamino)propanoate CAS Name: 3-[[1-adamantyl(oxo)methyl]amino]propanoic acid [2-[[[[(2S)-butan-2-yl]amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 3-(adamantane-1-carbonylamino)propanoate Traditional Name: 3-(adamantane-1-carbonylamino)propionic acid [2-keto-2-[[(1S)-1-methylpropyl]carbamoylamino]ethyl] ester Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NC(=O)NC(=O)COC(=O)CCNC(=O)C12CC3CC(C1)CC(C3)C2

Isomeric SMILES

CC[C@H](C)NC(=O)NC(=O)COC(=O)CCNC(=O)C12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C21H33N3O5/c1-3-13(2)23-20(28)24-17(25)12-29-18(26)4-5-22-19(27)21-9-14-6-15(10-21)8-16(7-14)11-21/h13-16H,3-12H2,1-2H3,(H,22,27)(H2,23,24,25,28)/t13-,14?,15?,16?,21?/m0/s1