methyl (2S)-2-[[(2S)-2,6-bis(1-adamantylcarbonylamino)hexanoyl]amino]-4-methyl-pentanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2,6-bis(1-adamantylcarbonylamino)hexanoyl]amino]-4-methyl-pentanoate Openeye Name: methyl (2S)-2-[[(2S)-2,6-bis(adamantane-1-carbonylamino)hexanoyl]amino]-4-methyl-pentanoate CAS Name: (2S)-2-[[(2S)-2,6-bis[[1-adamantyl(oxo)methyl]amino]-1-oxohexyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2,6-bis(adamantane-1-carbonylamino)hexanoyl]amino]-4-methylpentanoate Traditional Name: (2S)-2-[[(2S)-2,6-bis(adamantane-1-carbonylamino)hexanoyl]amino]-4-methyl-valeric acid methyl ester Formula: C35H55N3O5 MolecularWeight: 597.8283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)OC)NC(=O)C(CCCCNC(=O)C12CC3CC(C1)CC(C3)C2)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC(C)C[C@@H](C(=O)OC)NC(=O)[C@H](CCCCNC(=O)C12CC3CC(C1)CC(C3)C2)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C35H55N3O5/c1-21(2)8-29(31(40)43-3)37-30(39)28(38-33(42)35-18-25-12-26(19-35)14-27(13-25)20-35)6-4-5-7-36-32(41)34-15-22-9-23(16-34)11-24(10-22)17-34/h21-29H,4-20H2,1-3H3,(H,36,41)(H,37,39)(H,38,42)/t22?,23?,24?,25?,26?,27?,28-,29-,34?,35?/m0/s1