Marvin 04301314442D 37 38 0 0 1 0 999 V2000 8.4941 -9.1099 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4941 -9.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7796 -8.6974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.2086 -8.6974 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0652 -9.1099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7796 -7.8724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6376 -8.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6376 -7.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9231 -9.1099 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3520 -9.1099 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9231 -9.9349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0652 -7.4599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0652 -6.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3507 -7.8724 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0665 -7.8723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7810 -9.1098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0665 -8.6973 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.4954 -8.6973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.7810 -9.9348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2100 -9.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9244 -8.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2100 -9.1098 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.6389 -9.1098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9244 -10.3473 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9244 -7.8723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6384 -10.3509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9342 -10.6259 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3840 -10.0146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7248 -11.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5259 -11.3315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1730 -11.7748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7807 -12.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4280 -12.5595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2291 -12.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7810 -7.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7810 -6.6348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4954 -7.8724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 2 0 0 0 0 3 1 1 0 0 0 0 4 1 1 0 0 0 0 3 5 1 1 0 0 0 6 3 1 0 0 0 0 8 7 2 0 0 0 0 9 7 1 0 0 0 0 10 7 1 0 0 0 0 9 4 1 6 0 0 0 9 11 1 0 0 0 0 12 6 1 0 0 0 0 13 12 2 0 0 0 0 14 12 1 0 0 0 0 17 15 1 0 0 0 0 17 16 1 0 0 0 0 18 16 1 0 0 0 0 19 16 2 0 0 0 0 17 10 1 1 0 0 0 22 20 1 0 0 0 0 22 21 1 0 0 0 0 23 21 1 0 0 0 0 22 18 1 6 0 0 0 20 24 1 0 0 0 0 21 25 2 0 0 0 0 28 26 2 0 0 0 0 29 26 1 0 0 0 0 11 26 1 0 0 0 0 28 27 1 0 0 0 0 30 27 1 0 0 0 0 30 29 2 0 0 0 0 31 29 1 0 0 0 0 32 30 1 0 0 0 0 33 31 2 0 0 0 0 34 32 2 0 0 0 0 34 33 1 0 0 0 0 15 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 M END > CHEBI:73414 > Asn-Trp-Asp-Ser > A tetrapeptide composed of L-asparagine, L-tryptophan, L-aspartic acid and L-serine joined in sequence by peptide linkages. > 3 > NWDS; N-W-D-S; L-Asn-L-Trp-L-Asp-L-Ser > L-asparaginyl-L-tryptophyl-L-alpha-aspartyl-L-serine > C22H28N6O9 > 520.49250 > 520.19178 > 0 > N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O > InChI=1S/C22H28N6O9/c23-12(6-17(24)30)19(33)26-14(5-10-8-25-13-4-2-1-3-11(10)13)20(34)27-15(7-18(31)32)21(35)28-16(9-29)22(36)37/h1-4,8,12,14-16,25,29H,5-7,9,23H2,(H2,24,30)(H,26,33)(H,27,34)(H,28,35)(H,31,32)(H,36,37)/t12-,14-,15-,16-/m0/s1 > WSNSZZGIMVHDHF-TUUVXOQKSA-N $$$$