2-[4-methyl-7-[[(2S)-2-[4-[(2S)-3-methyl-2-[(4-morpholin-4-ylphenyl)carbonylamino]butan-2-yl]-1,2,3-triazol-1-yl]hexanoyl]amino]-2-oxidanylidene-chromen-3-yl]ethanoic acid

Systemtic Name: 2-[4-methyl-7-[[(2S)-2-[4-[(2S)-3-methyl-2-[(4-morpholin-4-ylphenyl)carbonylamino]butan-2-yl]-1,2,3-triazol-1-yl]hexanoyl]amino]-2-oxidanylidene-chromen-3-yl]ethanoic acid Openeye Name: 2-[7-[[(2S)-2-[4-[(1S)-1,2-dimethyl-1-[(4-morpholinobenzoyl)amino]propyl]triazol-1-yl]hexanoyl]amino]-4-methyl-2-oxo-chromen-3-yl]acetic acid CAS Name: 2-[4-methyl-7-[[(2S)-2-[4-[(2S)-3-methyl-2-[[[4-(4-morpholinyl)phenyl]-oxomethyl]amino]butan-2-yl]-1-triazolyl]-1-oxohexyl]amino]-2-oxo-1-benzopyran-3-yl]acetic acid IUPAC Name: 2-[4-methyl-7-[[(2S)-2-[4-[(2S)-3-methyl-2-[(4-morpholin-4-ylbenzoyl)amino]butan-2-yl]triazol-1-yl]hexanoyl]amino]-2-oxochromen-3-yl]acetic acid Traditional Name: 2-[7-[[(2S)-2-[4-[(1S)-1,2-dimethyl-1-[(4-morpholinobenzoyl)amino]propyl]triazol-1-yl]hexanoyl]amino]-2-keto-4-methyl-chromen-3-yl]acetic acid Formula: C36H44N6O7 MolecularWeight: 672.77056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)NC1=CC2=C(C=C1)C(=C(C(=O)O2)CC(=O)O)C)N3C=C(N=N3)C(C)(C(C)C)NC(=O)C4=CC=C(C=C4)N5CCOCC5

Isomeric SMILES

CCCC[C@@H](C(=O)NC1=CC2=C(C=C1)C(=C(C(=O)O2)CC(=O)O)C)N3C=C(N=N3)[C@](C)(C(C)C)NC(=O)C4=CC=C(C=C4)N5CCOCC5

InChI

InChI=1S/C36H44N6O7/c1-6-7-8-29(34(46)37-25-11-14-27-23(4)28(20-32(43)44)35(47)49-30(27)19-25)42-21-31(39-40-42)36(5,22(2)3)38-33(45)24-9-12-26(13-10-24)41-15-17-48-18-16-41/h9-14,19,21-22,29H,6-8,15-18,20H2,1-5H3,(H,37,46)(H,38,45)(H,43,44)/t29-,36-/m0/s1