Mrv1652309082214322D 35 39 0 0 1 0 999 V2000 4.4072 2.3719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7990 1.8145 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9776 1.0090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6407 1.4998 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3124 1.0207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1178 1.1993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6752 0.5911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4272 -0.1957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6217 -0.3743 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3737 -1.1611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9311 -1.7694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6830 -2.5562 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7365 -1.5908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0643 0.2339 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2394 0.2267 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6927 -0.3912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9545 -1.1736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8843 -0.2268 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0629 -1.0322 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4546 -1.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2211 -0.7175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5495 -0.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7796 -0.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0677 -0.1182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0502 0.6984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5147 1.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3370 1.2329 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7539 1.9448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3459 2.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5209 2.6669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7628 3.3737 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7975 0.5484 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6225 0.5556 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1691 1.1735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9073 1.9559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 3 2 1 1 0 0 0 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 1 6 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 9 14 1 0 0 0 0 5 14 1 0 0 0 0 14 15 1 1 0 0 0 3 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 1 0 0 0 19 20 1 0 0 0 0 18 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 2 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 27 28 1 6 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 27 32 1 0 0 0 0 22 32 1 0 0 0 0 32 33 1 1 0 0 0 18 33 1 0 0 0 0 33 34 1 0 0 0 0 3 34 1 0 0 0 0 34 35 2 0 0 0 0 M END > NP0267688 > NP-MRD > CS[C@@]12CC3=CC=C[C@H](OC(C)=O)[C@H]3N1C(=O)[C@@]1(CC3=COC=C[C@H](OC(C)=O)[C@H]3N1C2=O)SC > InChI=1S/C24H26N2O7S2/c1-13(27)32-17-7-5-6-15-10-23(34-3)21(29)26-20-16(12-31-9-8-18(20)33-14(2)28)11-24(26,35-4)22(30)25(23)19(15)17/h5-9,12,17-20H,10-11H2,1-4H3/t17-,18-,19-,20-,23+,24+/m0/s1 > POUFHOLLURKZJJ-KHTMQFLISA-N > C24H26N2O7S2 > 518.6 > 518.118143533 > 5 > 61 > 50.928215742607314 > 1 > 0 > 0 > 0 > (1R,4S,5S,11R,14S,15S)-5-(acetyloxy)-1,11-bis(methylsulfanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,20}]henicosa-6,8,16,19-tetraen-15-yl acetate > 1.5364093076666667 > 1 > 5 > 0 > -5.009328484814547 > 102.45000000000002 > 131.8607 > 6 > 0 > (1R,4S,5S,11R,14S,15S)-5-(acetyloxy)-1,11-bis(methylsulfanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.0^{3,11}.0^{4,9}.0^{14,20}]henicosa-6,8,16,19-tetraen-15-yl acetate > 0 > NP0267688 > (1r,4s,5s,11r,14s,15s)-5-(acetyloxy)-1,11-bis(methylsulfanyl)-2,12-dioxo-18-oxa-3,13-diazapentacyclo[11.8.0.0³,¹¹.0⁴,⁹.0¹⁴,²⁰]henicosa-6,8,16,19-tetraen-15-yl acetate $$$$