Compound Name

SMILES String

CC(C)C[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(O)=O |r,wU:98.103,51.50,8.8,15.14,76.78,34.33,wD:4.4,65.66,26.25,84.86,103.107,42.41,(.31,-40.62,;.28,-39.08,;1.6,-38.28,;-1.07,-38.34,;-1.09,-36.79,;-2.44,-36.06,;-3.77,-36.84,;-3.74,-38.38,;-5.12,-36.1,;-6.42,-36.89,;-5.16,-34.55,;-3.84,-33.76,;.22,-36,;.19,-34.46,;1.57,-36.74,;2.88,-35.94,;2.85,-34.4,;4.18,-33.6,;4.14,-32.07,;5.46,-31.27,;5.43,-29.73,;4.07,-28.99,;6.76,-28.94,;4.24,-36.68,;4.27,-38.22,;5.56,-35.89,;6.91,-36.63,;6.94,-38.17,;8.29,-38.91,;8.32,-40.45,;9.61,-38.12,;8.23,-35.84,;8.2,-34.29,;9.58,-36.58,;10.9,-35.78,;10.86,-34.24,;12.18,-33.45,;12.15,-31.91,;13.53,-34.19,;12.24,-36.52,;12.27,-38.06,;13.56,-35.73,;14.91,-36.47,;14.94,-38.01,;16.28,-38.75,;16.32,-40.29,;15,-41.08,;17.66,-41.04,;16.22,-35.67,;16.19,-34.14,;17.57,-36.42,;18.89,-35.62,;18.86,-34.08,;20.18,-33.29,;21.45,-34.16,;22.67,-33.23,;22.16,-31.78,;22.89,-30.42,;22.09,-29.1,;20.55,-29.15,;19.82,-30.5,;20.62,-31.81,;20.24,-36.36,;20.28,-37.9,;21.56,-35.56,;22.91,-36.3,;22.94,-37.84,;24.29,-38.58,;25.61,-37.79,;26.96,-38.53,;26.99,-40.07,;25.67,-40.87,;24.33,-40.12,;24.23,-35.51,;24.19,-33.97,;25.58,-36.24,;26.9,-35.46,;26.87,-33.91,;28.19,-33.12,;28.16,-31.58,;29.53,-33.86,;28.25,-36.2,;28.28,-37.73,;29.56,-35.39,;30.91,-36.14,;30.94,-37.68,;32.29,-38.42,;33.53,-37.52,;34.78,-38.42,;34.3,-39.89,;35.06,-41.23,;34.29,-42.56,;32.75,-42.55,;31.98,-41.21,;32.76,-39.89,;32.23,-35.34,;32.2,-33.81,;33.58,-36.08,;34.9,-35.29,;34.87,-33.75,;36.25,-36.03,;36.29,-37.57,;37.57,-35.23,;38.92,-35.97,;38.95,-37.51,;40.3,-38.25,;40.24,-35.18,;41.59,-35.92,;40.21,-33.64,)|

CCCCCCCC(C)CC=C(C)C=CC(=O)C(C)CCC1OC(=O)[C@H](CC(OS(O)(=O)=O)C(N)=O)NC(=O)[C@@H](C)CNC(=O)C(=C)NC(=O)C1C |r,w:14.14,10.9|

CC[C@@]1(O)C(=O)OCc2c1cc1-c3nc4ccccc4cc3Cn1c2=O |r|

COc1cccc2C(=O)c3c(O)c4C[C@](O)(C[C@H](O[C@H]5C[C@H](N)[C@H](O)[C@H](C)O5)c4c(O)c3C(=O)c12)C(=O)CO |r|

Oc1ccc(\C=C2\C(=O)Oc3cc(O)ccc23)cc1