HMDB0258058 RDKit 3D (2S)-2-Amino-3-[4-[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxyphenyl]propanoi... 48 50 0 0 0 0 0 0 0 0999 V2000 7.8239 0.4824 -0.3353 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3890 0.5255 -0.0275 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7248 -0.3888 -1.0229 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2594 -0.4414 -0.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6368 -1.3919 -0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2683 -1.3890 0.1221 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4657 -0.4486 -0.4950 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0806 -0.4701 -0.3193 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4419 0.2558 0.7355 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3507 0.8901 1.4724 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9211 0.2825 0.9899 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1856 1.1110 2.1365 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5645 0.7733 -0.2726 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0400 0.8586 -0.1867 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7651 2.0197 -0.0399 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0804 1.6831 -0.0027 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2095 0.3520 -0.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3426 -0.4398 -0.1355 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1955 -1.8111 -0.2716 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9397 -2.3712 -0.3898 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8232 -1.5617 -0.3724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9424 -0.1734 -0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0772 0.5000 -1.2812 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4361 0.4965 -1.4348 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1523 0.0186 1.3290 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0929 -0.4711 1.9859 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9004 0.0776 1.8905 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3361 1.2768 0.0973 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9054 0.4806 -1.3738 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0121 1.5651 -0.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9934 -0.0179 -2.0319 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1437 -1.4100 -0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2346 -2.1517 0.4662 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7699 -2.1395 0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2162 -0.7588 1.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3277 1.6509 2.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4316 0.5413 2.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1030 1.7554 -0.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2398 0.0830 -1.0889 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3999 3.0355 0.0361 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8573 2.3612 0.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3239 -0.0098 -0.0438 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1017 -2.3890 -0.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8732 -3.4467 -0.4938 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8290 -1.9754 -0.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4824 1.2538 -1.7813 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9298 1.2505 -2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6895 0.0759 2.8644 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 2 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 11 13 1 0 13 14 1 0 14 15 2 0 15 16 1 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 7 23 1 0 23 24 2 0 2 25 1 0 25 26 2 0 25 27 1 0 24 4 1 0 22 14 1 0 22 17 1 0 1 28 1 0 1 29 1 0 2 30 1 0 3 31 1 0 3 32 1 0 5 33 1 0 6 34 1 0 11 35 1 0 12 36 1 0 12 37 1 0 13 38 1 0 13 39 1 0 15 40 1 0 16 41 1 0 18 42 1 0 19 43 1 0 20 44 1 0 21 45 1 0 23 46 1 0 24 47 1 0 27 48 1 0 M END