2724632 -OEChem-03292401472D 47 49 0 1 0 0 0 0 0999 V2000 4.5274 3.6618 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 -0.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 0.6618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 3.1618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9915 1.6618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 0.6618 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -2.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 -2.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 -2.9260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -3.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -3.8770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -1.3382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 -2.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 -2.6938 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -4.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -4.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 -3.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.4624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -4.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -4.4531 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2594 1.6618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.3934 2.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 0.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3934 3.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1254 2.1618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 4.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0798 -2.0567 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3153 -0.7556 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9168 -1.4459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 -2.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 -2.1019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -5.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -5.2492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6607 -3.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -3.3312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1459 -4.9154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -4.9154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7964 1.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7828 2.2694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1813 1.5792 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7964 0.3518 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0040 3.0541 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6054 3.7444 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6624 3.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1474 4.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 5.2818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9074 4.6618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 1 26 1 0 0 0 0 2 12 1 0 0 0 0 2 23 1 0 0 0 0 3 23 2 0 0 0 0 4 25 1 0 0 0 0 4 44 1 0 0 0 0 5 25 2 0 0 0 0 21 6 1 1 0 0 0 6 23 1 0 0 0 0 6 41 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 12 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 13 2 0 0 0 0 9 11 1 0 0 0 0 9 14 2 0 0 0 0 10 11 1 0 0 0 0 10 15 2 0 0 0 0 11 16 2 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 17 1 0 0 0 0 13 30 1 0 0 0 0 14 18 1 0 0 0 0 14 31 1 0 0 0 0 15 19 1 0 0 0 0 15 32 1 0 0 0 0 16 20 1 0 0 0 0 16 33 1 0 0 0 0 17 19 2 0 0 0 0 17 34 1 0 0 0 0 18 20 2 0 0 0 0 18 35 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 1 0 0 0 0 21 25 1 0 0 0 0 21 38 1 0 0 0 0 22 24 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 24 42 1 0 0 0 0 24 43 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 26 47 1 0 0 0 0 M END > 2724632 > 1 > 478 > 5 > 2 > 8 > AAADceB6OABAAAAAAAAAAAAAAAAAAYAAAAAwYAAAAAAAAGABQAAAHgQQCAAADSjl2AayCILABgiIAiDSGAACAAAgABAIiIGIAIkKIDKgETCMYAAk1gEYiAeAwPAOgAAAAAAQAAAAAAAAACAAAQAACAAAAA== > (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanyl-butanoic acid > (2S)-2-[[9H-fluoren-9-ylmethoxy(oxo)methyl]amino]-4-(methylthio)butanoic acid > (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoic acid > (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanylbutanoic acid > (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-methylsulfanyl-butanoic acid > (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-4-(methylthio)butyric acid > InChI=1S/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)/t18-/m0/s1 > BUBGAUHBELNDEW-SFHVURJKSA-N > 3.7 > 371.11912932 > C20H21NO4S > 371.5 > CSCCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13 > CSCC[C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13 > 101 > 371.11912932 > 0 > 26 > 1 > 0 > 0 > 0 > 0 > 1 > 14 > 1 5 255 > 10 15 8 11 16 8 13 17 8 14 18 8 15 19 8 16 20 8 17 19 8 18 20 8 21 6 5 8 10 8 8 13 8 9 11 8 9 14 8 $$$$