Ketcher 03131812442D 1 1.00000 0.00000 0 25 25 0 1 0 999 V2000 11.9076 -4.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9076 -3.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7704 -5.4687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7704 -3.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6331 -4.9706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6331 -3.9744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4959 -3.4763 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3586 -3.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4959 -2.4801 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0473 -5.4730 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2223 -4.9636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3532 -5.4484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2231 -3.9697 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3440 -6.4776 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4612 -4.9591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2084 -6.9762 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6025 -5.4802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2034 -7.9726 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0676 -6.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7219 -4.9970 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.0656 -8.4673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0645 -9.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9271 -7.9742 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9442 -9.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6018 -6.4747 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 2 4 2 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 7 9 1 0 0 0 5 6 2 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 11 13 2 0 0 0 12 14 1 1 0 0 12 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 16 19 2 0 0 0 17 20 1 0 0 0 18 21 1 0 0 0 21 22 1 0 0 0 21 23 1 0 0 0 21 24 1 0 0 0 10 1 1 0 0 0 17 25 2 0 0 0 M CHG 2 7 1 9 -1 M END > CHEBI:3147 > Boc-Asn-OPhNO2 > 2 > Boc-Asn-OPhNO2 > C15H19N3O7; C15H19N3O7 > 353.328 > 353.12230 > 0 > C=1(C=CC([N+](=O)[O-])=CC1)OC([C@@H](NC(OC(C)(C)C)=O)CC(N)=O)=O > InChI=1S/C15H19N3O7/c1-15(2,3)25-14(21)17-11(8-12(16)19)13(20)24-10-6-4-9(5-7-10)18(22)23/h4-7,11H,8H2,1-3H3,(H2,16,19)(H,17,21)/t11-/m0/s1 > IAPXDJMULQXGDD-NSHDSACASA-N > C02138 $$$$