methyl (2S)-2-[[4-(1-adamantyl)quinolin-2-yl]carbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate

Systemtic Name: methyl (2S)-2-[[4-(1-adamantyl)quinolin-2-yl]carbonylamino]-6-(phenylmethoxycarbonylamino)hexanoate Openeye Name: methyl (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-6-(benzyloxycarbonylamino)hexanoate CAS Name: (2S)-2-[[[4-(1-adamantyl)-2-quinolinyl]-oxomethyl]amino]-6-(phenylmethoxycarbonylamino)hexanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-6-(phenylmethoxycarbonylamino)hexanoate Traditional Name: (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-6-(benzyloxycarbonylamino)hexanoic acid methyl ester Formula: C35H41N3O5 MolecularWeight: 583.71714

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C(=C2)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

COC(=O)[C@H](CCCCNC(=O)OCC1=CC=CC=C1)NC(=O)C2=NC3=CC=CC=C3C(=C2)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C35H41N3O5/c1-42-33(40)30(13-7-8-14-36-34(41)43-22-23-9-3-2-4-10-23)38-32(39)31-18-28(27-11-5-6-12-29(27)37-31)35-19-24-15-25(20-35)17-26(16-24)21-35/h2-6,9-12,18,24-26,30H,7-8,13-17,19-22H2,1H3,(H,36,41)(H,38,39)/t24?,25?,26?,30-,35?/m0/s1