methyl (2S)-2,6-bis[2-(4-cyclopentyl-1,2,3-triazol-1-yl)ethanoylamino]hexanoate

Systemtic Name: methyl (2S)-2,6-bis[2-(4-cyclopentyl-1,2,3-triazol-1-yl)ethanoylamino]hexanoate Openeye Name: methyl (2S)-2,6-bis[[2-(4-cyclopentyltriazol-1-yl)acetyl]amino]hexanoate CAS Name: (2S)-2,6-bis[[2-(4-cyclopentyl-1-triazolyl)-1-oxoethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl (2S)-2,6-bis[[2-(4-cyclopentyltriazol-1-yl)acetyl]amino]hexanoate Traditional Name: (2S)-2,6-bis[[2-(4-cyclopentyltriazol-1-yl)acetyl]amino]hexanoic acid methyl ester Formula: C25H28N8O4 MolecularWeight: 504.54102

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCNC(=O)CN1C=C(N=N1)[C]2[CH][CH][CH][CH]2)NC(=O)CN3C=C(N=N3)[C]4[CH][CH][CH][CH]4

Isomeric SMILES

COC(=O)[C@H](CCCCNC(=O)CN1C=C(N=N1)[C]2[CH][CH][CH][CH]2)NC(=O)CN3C=C(N=N3)[C]4[CH][CH][CH][CH]4

InChI

InChI=1S/C25H28N8O4/c1-37-25(36)20(27-24(35)17-33-15-22(29-31-33)19-10-4-5-11-19)12-6-7-13-26-23(34)16-32-14-21(28-30-32)18-8-2-3-9-18/h2-5,8-11,14-15,20H,6-7,12-13,16-17H2,1H3,(H,26,34)(H,27,35)/t20-/m0/s1