Mrv2104 05272302422D 20 22 0 0 0 0 999 V2000 -0.6284 -0.6979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -1.3654 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6411 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 -0.0305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3984 0.7541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2054 0.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4604 1.7103 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 1.9652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2450 2.7902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4604 3.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9754 2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1504 2.3777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2621 3.0922 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.2621 1.6632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7575 0.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 0.1271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -0.2854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0701 -1.1104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3556 -1.5229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 1 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 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 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 8 12 1 0 0 0 0 7 16 2 0 0 0 0 4 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 3 20 1 0 0 0 0 M CHG 1 14 -1 M END > NP0339911 > NP-MRD > [O-]C(=O)C1CCCN1C(=O)CC1=CNC2=C1C=CC=C2 > InChI=1/C15H16N2O3/c18-14(17-7-3-6-13(17)15(19)20)8-10-9-16-12-5-2-1-4-11(10)12/h1-2,4-5,9,13,16H,3,6-8H2,(H,19,20)/p-1 > STGVBTJKCSSKNP-UHFFFAOYNA-M > C15H15N2O3 > 271.297 > 271.108815931 > 3 > 35 > 27.4725915083842 > 1 > 1 > -1 > 1 > 1-[2-(1H-indol-3-yl)acetyl]pyrrolidine-2-carboxylate > 1.4459026786666658 > 0 > 3 > -1 > 16.057809965571316 > 4.0363726512037115 > -2.321503879975618 > 76.23 > 84.27570000000001 > 3 > 1 > 1-[2-(1H-indol-3-yl)acetyl]pyrrolidine-2-carboxylate > 0 > NP0339911 > indole-3-acetyl-proline $$$$