methyl (2S)-2-[2-[2-(1-adamantyl)ethanoylamino]ethanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl (2S)-2-[2-[2-(1-adamantyl)ethanoylamino]ethanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl (2S)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-3-hydroxy-propanoate CAS Name: (2S)-2-[[2-[[2-(1-adamantyl)-1-oxoethyl]amino]-1-oxoethyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-3-hydroxypropanoate Traditional Name: (2S)-2-[[2-[[2-(1-adamantyl)acetyl]amino]acetyl]amino]-3-hydroxy-propionic acid methyl ester Formula: C18H28N2O5 MolecularWeight: 352.42532

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CNC(=O)CC12CC3CC(C1)CC(C3)C2

Isomeric SMILES

COC(=O)[C@H](CO)NC(=O)CNC(=O)CC12CC3CC(C1)CC(C3)C2

InChI

InChI=1S/C18H28N2O5/c1-25-17(24)14(10-21)20-16(23)9-19-15(22)8-18-5-11-2-12(6-18)4-13(3-11)7-18/h11-14,21H,2-10H2,1H3,(H,19,22)(H,20,23)/t11?,12?,13?,14-,18?/m0/s1