SMILES for UDP-3-O-(3-hydroxymyristoyl)glucosamine N-acyltransferase

6 SMILES Strings for UDP-3-O-(3-hydroxymyristoyl)glucosamine N-acyltransferase

Compound Name

SMILES String

CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(=O)N1CCC[C@H]1C(N)=O |r,wU:125.134,74.82,54.61,39.40,16.28,4.4,90.94,wD:82.90,62.74,46.53,30.37,8.12,2.2,134.14

BDBM228807

CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC1(C)N=N1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(=O)N1CCC[C@H]1C(N)=O

BDBM228808

CC[C@H](C)[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1(C)N=N1)NC(=O)[C@H](CCSC)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(=O)N1CCC[C@H]1C(O)=O |r,wU:126.136,75.84,55.63,91.96,39.40,16.28,4.4,wD:83.92,63.76,46.55,30.37,8.12,2.2,135.145,c:53,(58.94,-19.08,;58.41,-20.52,;59.4,-21.7,;60.92,-21.43,;58.87,-23.15,;

BDBM228809

CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)

BDBM228810

CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(N)=O |r,wU:71.77,20.25,4.4,36.37,wD:28.33,8.17,77.81,(37.69,-12.34,;36.36,-13.11,;36.36,-14.65,;35.02,-15.42,;35.02,-16.96,;33.69,-17.73,;32.15,-16.96,;32.15,-15.42,;30.82,-17.73,;30.82,-19.27,;32.15,-20.04,;32.15,-21.58,;33.48,-22.35,;34.82,-21.58,;36.15,-22.35,;34.82,-20.04,;33.48,-19.27,;29.48,-16.96,;27.94,-17.73,;27.94,-19.27,;26.61,-16.96,;26.61,-15.42,;27.94,-14.65,;29.28,-15.42,;27.94,-13.11,;25.28,-17.73,;23.74,-16.96,;23.74,-15.42,;22.4,-17.73,;22.4,-19.27,;23.74,-20.04,;23.74,-21.58,;25.07,-19.27,;21.07,-16.96,;19.53,-17.73,;19.53,-19.27,;18.2,-16.96,;16.73,-17.66,;15.43,-16.91,;15.43,-15.37,;14.1,-17.68,;12.76,-16.91,;11.43,-17.68,;10.1,-16.91,;10.1,-15.37,;8.76,-17.68,;8.76,-19.22,;10.1,-19.99,;10.1,-21.53,;8.76,-22.3,;7.43,-21.53,;7.43,-19.99,;5.94,-21.93,;4.85,-20.84,;5.54,-23.42,;8.76,-23.84,;10.1,-24.61,;11.43,-23.84,;12.76,-24.61,;12.76,-26.15,;14.1,-26.92,;11.43,-26.92,;10.1,-26.15,;8.76,-26.92,;7.43,-26.15,;6.1,-26.92,;4.76,-26.15,;3.43,-26.92,;4.76,-24.61,;6.1,-23.84,;7.43,-24.61,;18.2,-15.42,;16.86,-14.65,;19.53,-14.65,;36.36,-17.73,;36.36,-19.27,;37.9,-16.96,;39.23,-17.73,;39.23,-19.27,;40.57,-20.04,;41.9,-19.27,;40.57,-21.58,;40.57,-16.96,;41.9,-17.73,;40.57,-15.42,)|

BDBM228811

CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)CCNC(=S)Nc1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)[C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(O)=O |r,wU:71.77,20.25,4.4,36.37,wD:28.33,8.17,77.81,(51.24,-12.65,;49.91,-13.42,;49.91,-14.96,;48.58,-15.73,;48.58,-17.27,;47.24,-18.04,;45.7,-17.27,;45.7,-15.73,;44.37,-18.04,;44.37,-19.58,;45.7,-20.35,;45.7,-21.89,;47.04,-22.66,;48.37,-21.89,;49.7,-22.66,;48.37,-20.35,;47.04,-19.58,;43.04,-17.27,;41.5,-18.04,;41.5,-19.58,;40.16,-17.27,;40.16,-15.73,;41.5,-14.96,;42.83,-15.73,;41.5,-13.42,;38.83,-18.04,;37.29,-17.27,;37.29,-15.73,;35.95,-18.04,;35.95,-19.58,;37.29,-20.35,;37.29,-21.89,;38.62,-19.58,;34.62,-17.27,;33.08,-18.04,;33.08,-19.58,;31.75,-17.27,;30.29,-17.97,;28.98,-17.22,;28.98,-15.68,;27.65,-17.99,;26.32,-17.22,;24.98,-17.99,;23.65,-17.22,;23.65,-15.68,;22.32,-17.99,;22.32,-19.53,;23.65,-20.3,;23.65,-21.84,;22.32,-22.61,;20.98,-21.84,;20.98,-20.3,;19.49,-22.24,;18.41,-21.15,;19.1,-23.73,;22.32,-24.15,;23.65,-24.92,;24.98,-24.15,;26.32,-24.92,;26.32,-26.46,;27.65,-27.23,;24.98,-27.23,;23.65,-26.46,;22.32,-27.23,;20.98,-26.46,;19.65,-27.23,;18.31,-26.46,;16.98,-27.23,;18.31,-24.92,;19.65,-24.15,;20.98,-24.92,;31.75,-15.73,;30.41,-14.96,;33.08,-14.96,;49.91,-18.04,;49.91,-19.58,;51.45,-17.27,;52.78,-18.04,;52.78,-19.58,;54.12,-20.35,;55.45,-19.58,;54.12,-21.89,;54.12,-17.27,;55.45,-18.04,;54.12,-15.73,)|