6140 -OEChem-11291912053D 23 23 0 1 0 0 0 0 0999 V2000 -1.5606 -1.5480 -1.0372 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1863 -1.0236 0.4554 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7945 1.6326 -0.1118 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6090 0.9812 0.7905 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6652 0.7241 -0.2957 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7593 0.4612 0.4141 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1082 -0.8355 0.7537 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6370 1.2913 -0.2633 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2259 -0.6859 -0.2249 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3708 -1.3157 0.4062 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8996 0.8109 -0.6109 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2665 -0.4925 -0.2761 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9180 0.5378 1.7471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5161 2.0589 0.9859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2654 0.8943 -1.3020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4193 -1.4840 1.2872 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3595 2.3068 -0.5307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4744 2.5968 -0.1977 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1587 1.5450 0.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6567 -2.3305 0.6672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5970 1.4516 -1.1428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2496 -0.8665 -0.5468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9362 -2.4531 -0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 23 1 0 0 0 0 2 9 2 0 0 0 0 3 5 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 13 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 7 10 1 0 0 0 0 7 16 1 0 0 0 0 8 11 2 0 0 0 0 8 17 1 0 0 0 0 10 12 2 0 0 0 0 10 20 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 12 22 1 0 0 0 0 M END > DB00120 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/COLNVLDHVKWLRT-QMMMGPOBSA-N/SDF?record_type=3d > N[C@@H](CC1=CC=CC=C1)C(O)=O > InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1 > COLNVLDHVKWLRT-QMMMGPOBSA-N > C9H11NO2 > 165.1891 > 165.078978601 > 3 > 23 > 17.0319763846329 > 1 > 2 > 0 > 0 > (2S)-2-amino-3-phenylpropanoic acid > -1.35 > -1.184438468740489 > -1.60 > 0 > 1 > 0 > 2.469229772182635 > 9.446936344396194 > 63.31999999999999 > 45.11630000000001 > 3 > 1 > 4.14e+00 g/l > palladium(2+) (4S,5S,14R,15R)-10-acetyl-4-(2-carboxyethyl)-15-ethyl-2-(2-methoxy-2-oxoethyl)-5,9,14,19-tetramethyl-20-[(2-sulfoethyl)carbamoyl]-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),6,8,10,12,16(22),17,19-nonaene-21,23-diide > 0 $$$$