H-Val-Trp-OH -molcms-05162601412D 22 23 0 0 1 0 0 0 0 0999 V2000 6.2687 0.1057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0608 -0.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1097 -1.1814 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9018 -2.1596 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3666 -0.5123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4155 -0.8213 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 -0.1522 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8803 0.8259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1371 1.4951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8313 1.1350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7213 -0.4612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9781 0.2079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0827 1.2024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1691 1.6092 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5000 -0.8660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5745 0.4658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8039 -1.5416 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 1 6 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 7 6 1 1 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 8 10 2 0 0 0 0 7 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 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 20 12 1 0 0 0 0 20 15 1 0 0 0 0 5 21 2 0 0 0 0 2 22 1 0 0 0 0 M END > H-Val-Trp-OH > 24587-37-9 > C16H21N3O3 > MFCD00037947 > 303.36 > > > > CC([C@H](N)C(N[C@H](C(O)=O)CC1=CNC2=CC=CC=C12)=O)C $$$$