(1-丁基-3,4,5,6-四氢-2H-吡啶-4-基) N-(2-七氧代苯基)氨基甲酸酯氯化

891198-38-2

MFCD09263403

C53 H70 N12 O20

1195.2

InChI=1S/C53H70N12O20/c1-26(2)18-36(61-53(79)39-8-7-17-63(39)43(67)20-29-21-46(72)85-41-23-31(84-6)10-11-32(29)41)49(75)56-25-42(66)58-37(19-27(3)4)52(78)60-35(14-16-45(70)71)51(77)59-34(13-15-44(68)69)50(76)57-28(5)48(74)62-38(47(54)73)24-55-33-12-9-30(64(80)81)22-40(33)65(82)83/h9-12,21-23,26-28,34-39,55H,7-8,13-20,24-25H2,1-6H3,(H2,54,73)(H,56,75)(H,57,76)(H,58,66)(H,59,77)(H,60,78)(H,61,79)(H,62,74)(H,68,69)(H,70,71)/t28-,34-,35-,36-,37-,38-,39-/m0/s1

InChIKey=IUIVVOHCYZAJIV-PFQABZGHSA-N

CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CNc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])C(=O)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)Cc3cc(=O)oc4c3ccc(c4)OC

pro_donors:11

pro_acceptors:32

XLogP3:0.0

Bulk/Fine:F