methyl (2S)-2-[[4-(1-adamantyl)quinolin-2-yl]carbonylamino]-5-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: methyl (2S)-2-[[4-(1-adamantyl)quinolin-2-yl]carbonylamino]-5-(phenylmethoxycarbonylamino)pentanoate Openeye Name: methyl (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-5-(benzyloxycarbonylamino)pentanoate CAS Name: (2S)-2-[[[4-(1-adamantyl)-2-quinolinyl]-oxomethyl]amino]-5-(phenylmethoxycarbonylamino)pentanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-5-(phenylmethoxycarbonylamino)pentanoate Traditional Name: (2S)-2-[[4-(1-adamantyl)quinoline-2-carbonyl]amino]-5-(benzyloxycarbonylamino)valeric acid methyl ester Formula: C34H39N3O5 MolecularWeight: 569.69056

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H39N3O5/c1-41-32(39)29(12-7-13-35-33(40)42-21-22-8-3-2-4-9-22)37-31(38)30-17-27(26-10-5-6-11-28(26)36-30)34-18-23-14-24(19-34)16-25(15-23)20-34/h2-6,8-11,17,23-25,29H,7,12-16,18-21H2,1H3,(H,35,40)(H,37,38)/t23?,24?,25?,29-,34?/m0/s1