Mrv0541 02121516572D 42 45 0 0 1 0 999 V2000 14.7586 -40.2049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7587 -38.8749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6069 -38.2098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4551 -38.8748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4550 -40.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6067 -40.8699 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -30.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1515 -32.2256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1515 -30.8956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3033 -30.2305 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.4551 -30.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4551 -32.2254 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6068 -30.2304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7586 -30.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9104 -30.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0622 -30.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0623 -32.2253 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2139 -30.2304 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.3657 -30.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5176 -30.2304 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6692 -30.8953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6692 -32.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5176 -32.8903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3658 -32.2253 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5176 -34.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6694 -34.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3344 -36.0371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9994 -34.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3658 -34.8852 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3658 -36.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5175 -36.8801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.2141 -36.8801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0623 -36.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0622 -34.8851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2140 -34.2202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2141 -32.8902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9105 -36.8800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9104 -38.2100 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7587 -36.2150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5176 -35.5502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9998 -31.5606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7588 -34.8850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 1 2 1 0 0 0 0 38 2 1 0 0 0 0 6 5 1 0 0 0 0 5 4 2 0 0 0 0 4 3 1 0 0 0 0 3 2 2 0 0 0 0 7 9 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 11 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 24 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 25 26 1 0 0 0 0 25 29 1 0 0 0 0 26 27 1 0 0 0 0 26 28 1 0 0 0 0 27 28 2 0 0 0 0 29 30 1 0 0 0 0 29 35 2 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 37 33 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 37 38 1 0 0 0 0 37 39 1 1 0 0 0 25 40 1 1 0 0 0 9 41 1 0 0 0 0 39 42 1 0 0 0 0 M END > CHEBI:46238 > U100313 > A pyranone that is 4-hydroxy-3-methyl-2H-pyran-2-one in which two of the hydrogens of the methyl group are replaced by a cycloprop-2-en-1-yl group and a 3-{[N-(tert-butoxycarbonyl)-β-alanyl]amino}phenyl group (S-configuration) and in which the hydrogen at position 6 is replaced by a 1-phenylbutan-2-yl group (R-configuration). > 3 > tert-butyl [3-({3-[(S)-{6-[(1R)-1-benzylpropyl]-4-hydroxy-2-oxo-2H-pyran-3-yl}(cycloprop-2-en-1-yl)methyl]phenyl}amino)-3-oxopropyl]carbamate > tert-butyl [3-({3-[(S)-cycloprop-2-en-1-yl{4-hydroxy-2-oxo-6-[(2R)-1-phenylbutan-2-yl]-2H-pyran-3-yl}methyl]phenyl}amino)-3-oxopropyl]carbamate > C33H38N2O6 > 558.66460 > 558.27299 > 0 > CC[C@H](Cc1ccccc1)c1cc(O)c([C@@H](C2C=C2)c2cccc(NC(=O)CCNC(=O)OC(C)(C)C)c2)c(=O)o1 > InChI=1S/C33H38N2O6/c1-5-22(18-21-10-7-6-8-11-21)27-20-26(36)30(31(38)40-27)29(23-14-15-23)24-12-9-13-25(19-24)35-28(37)16-17-34-32(39)41-33(2,3)4/h6-15,19-20,22-23,29,36H,5,16-18H2,1-4H3,(H,34,39)(H,35,37)/t22-,29+/m1/s1 > OORLDLMDGJZAFM-MNNSJKJDSA-N > U02 > 9184138 $$$$