Ketcher 09291715412D 1 1.00000 0.00000 0 66 65 0 1 0 999 V2000 7.7500 -15.7857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6160 -15.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4821 -15.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3482 -15.2857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.2141 -15.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0802 -15.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8840 -15.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0179 -15.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1519 -15.2857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8840 -14.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4821 -16.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9462 -15.7857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0802 -14.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0179 -16.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6160 -14.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2141 -16.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1519 -17.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4821 -13.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0802 -17.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1519 -18.2857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0802 -18.2857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4821 -12.7858 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2859 -16.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9462 -16.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3482 -14.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2859 -18.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2859 -19.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9462 -18.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9462 -19.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3482 -12.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3482 -11.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4199 -18.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8122 -18.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2141 -12.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0802 -12.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2141 -13.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5538 -18.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4199 -17.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6782 -18.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8122 -17.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4821 -10.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4821 -9.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6160 -9.2857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6160 -8.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 -7.7857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4821 -7.7857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1519 -20.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1519 -21.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0179 -21.7857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0179 -22.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8840 -23.2857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1519 -23.2857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8122 -20.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8122 -21.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6782 -21.7857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6782 -22.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5443 -23.2857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8122 -23.2857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.8123 -15.2857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6782 -15.7857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5443 -15.2857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6784 -16.7857 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8122 -14.2858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6782 -13.7858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6782 -12.7858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5443 -14.2858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 3 4 1 0 0 0 4 5 1 0 0 0 5 6 1 0 0 0 1 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 7 10 2 0 0 0 3 11 2 0 0 0 6 12 1 0 0 0 6 13 2 0 0 0 8 14 1 6 0 0 2 15 1 1 0 0 5 16 1 6 0 0 14 17 1 0 0 0 15 18 1 0 0 0 16 19 1 0 0 0 17 20 1 0 0 0 19 21 1 0 0 0 18 22 1 0 0 0 17 23 2 0 0 0 19 24 2 0 0 0 18 25 2 0 0 0 20 26 1 0 0 0 26 27 1 1 0 0 21 28 1 0 0 0 28 29 1 6 0 0 22 30 1 0 0 0 30 31 1 1 0 0 26 32 1 0 0 0 28 33 1 0 0 0 30 34 1 0 0 0 34 35 1 0 0 0 34 36 2 0 0 0 32 37 2 0 0 0 32 38 1 0 0 0 33 39 1 0 0 0 33 40 2 0 0 0 31 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 2 0 0 0 44 46 1 0 0 0 27 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 50 51 2 0 0 0 50 52 1 0 0 0 29 53 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 56 58 2 0 0 0 12 59 1 0 0 0 59 60 1 0 0 0 60 61 1 0 0 0 60 62 2 0 0 0 59 63 1 1 0 0 63 64 1 0 0 0 64 65 2 0 0 0 64 66 1 0 0 0 M CHG 8 9 1 35 -1 38 -1 39 -1 45 1 51 1 58 1 61 -1 M CHG 1 66 -1 M STY 1 1 SRU M SLB 1 1 1 M SCN 1 1 HT M SMT 1 n M SAL 1 15 1 2 3 11 15 18 22 25 30 31 34 35 36 41 42 M SAL 1 4 43 44 45 46 M SBL 1 2 3 6 M SDI 1 4 9.9151 -14.7857 9.9151 -16.2857 M SDI 1 4 7.3170 -16.2857 7.3170 -14.7857 M END > CHEBI:137990 > (beta-Asp-Arg)n-Asp(1-) > A peptide anion that is the conjugate base of (β-Asp-Arg)n-Asp; major species at pH 7.3. > 3 > [L-4-(L-arginin-2-N-yl)aspartate]n-L-aspartate > (C10H17N5O4)n.C24H40N11O12 > -1 $$$$