GMAP (16-41), AMIDE

129541-35-1

MFCD00133355

C134 H219 N35 O37 S

2944.48

InChI=1S/C134H219N35O37S/c1-21-72(13)106(167-113(186)77(18)148-115(188)83(38-29-31-50-135)151-129(202)98(62-105(180)181)165-119(192)89(44-48-104(178)179)155-130(203)99(65-170)166-120(193)86(41-45-100(138)172)150-114(187)82(137)54-67(3)4)131(204)156-85(40-33-52-143-134(140)141)122(195)169-108(78(19)171)133(206)168-107(73(14)22-2)132(205)157-90(49-53-207-20)121(194)154-88(43-47-103(176)177)118(191)163-96(60-80-36-27-24-28-37-80)127(200)160-92(56-69(7)8)123(196)149-76(17)112(185)159-95(59-79-34-25-23-26-35-79)126(199)161-94(58-71(11)12)125(198)164-97(61-81-63-142-66-145-81)128(201)162-93(57-70(9)10)124(197)152-84(39-30-32-51-136)117(190)153-87(42-46-102(174)175)116(189)147-74(15)110(183)144-64-101(173)146-75(16)111(184)158-91(109(139)182)55-68(5)6/h23-28,34-37,63,66-78,82-99,106-108,170-171H,21-22,29-33,38-62,64-65,135-137H2,1-20H3,(H2,138,172)(H2,139,182)(H,142,145)(H,144,183)(H,146,173)(H,147,189)(H,148,188)(H,149,196)(H,150,187)(H,151,202)(H,152,197)(H,153,190)(H,154,194)(H,155,203)(H,156,204)(H,157,205)(H,158,184)(H,159,185)(H,160,200)(H,161,199)(H,162,201)(H,163,191)(H,164,198)(H,165,192)(H,166,193)(H,167,186)(H,168,206)(H,169,195)(H,174,175)(H,176,177)(H,178,179)(H,180,181)(H4,140,141,143)/t72-,73-,74-,75-,76-,77-,78+,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,106-,107-,108-/m0/s1

InChIKey=UJGPIFYJHRWXFC-NZESTMJRSA-N

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)N

pro_donors:40

pro_acceptors:72

XLogP3:0.0

Bulk/Fine:F