methyl (2S)-2,6-bis[[(2S)-2,6-dibenzamidohexanoyl]amino]hexanoate

Systemtic Name: methyl (2S)-2,6-bis[[(2S)-2,6-dibenzamidohexanoyl]amino]hexanoate Openeye Name: methyl (2S)-2,6-bis[[(2S)-2,6-dibenzamidohexanoyl]amino]hexanoate CAS Name: (2S)-2,6-bis[[(2S)-2,6-dibenzamido-1-oxohexyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-2,6-bis[[(2S)-2,6-dibenzamidohexanoyl]amino]hexanoate Traditional Name: (2S)-2,6-bis[[(2S)-2,6-dibenzamidohexanoyl]amino]hexanoic acid methyl ester Formula: C47H56N6O8 MolecularWeight: 832.98294

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC(=O)C(CCCCNC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)NC(=O)C(CCCCNC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CCCCNC(=O)[C@H](CCCCNC(=O)C1=CC=CC=C1)NC(=O)C2=CC=CC=C2)NC(=O)[C@H](CCCCNC(=O)C3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C47H56N6O8/c1-61-47(60)40(53-46(59)39(52-44(57)37-26-12-5-13-27-37)29-15-18-32-49-42(55)35-22-8-3-9-23-35)30-16-19-33-50-45(58)38(51-43(56)36-24-10-4-11-25-36)28-14-17-31-48-41(54)34-20-6-2-7-21-34/h2-13,20-27,38-40H,14-19,28-33H2,1H3,(H,48,54)(H,49,55)(H,50,58)(H,51,56)(H,52,57)(H,53,59)/t38-,39-,40-/m0/s1