Catalog Number:
AG0009E3
Chemical Name:
Benzoic acid, 5-[[[(2S)-3-[4-(aminocarbonyl)-2,6-dimethylphenyl]-2-[[(1,1-dimethylethoxy)carbonyl]amino]-1-oxopropyl][(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxy-, methyl ester
CAS Number:
1137026-67-5
Molecular Formula:
C38H45N5O7
Molecular Weight:
683.7932
MDL Number:
MFCD28964020
IUPAC Name:
methyl 5-[[[(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]amino]methyl]-2-methoxybenzoate
InChI:
InChI=1S/C38H45N5O7/c1-22-16-27(33(39)44)17-23(2)28(22)19-30(42-37(47)50-38(4,5)6)35(45)43(21-25-14-15-32(48-7)29(18-25)36(46)49-8)24(3)34-40-20-31(41-34)26-12-10-9-11-13-26/h9-18,20,24,30H,19,21H2,1-8H3,(H2,39,44)(H,40,41)(H,42,47)/t24-,30-/m0/s1
InChI Key:
GWDHGKMDWNQPCN-NGQVCNFZSA-N
SMILES:
COC(=O)c1cc(ccc1OC)CN([C@H](c1ncc([nH]1)c1ccccc1)C)C(=O)[C@H](Cc1c(C)cc(cc1C)C(=O)N)NC(=O)OC(C)(C)C
