C-PEPTIDE, DOG

39016-05-2

MFCD00076292

C137 H225 N37 O49

3174.49

InChI=1S/C137H225N37O49/c1-61(2)48-83(123(209)161-81(31-38-94(140)176)135(221)174-47-25-28-92(174)130(216)169-85(50-63(5)6)122(208)153-72(21)113(199)164-86(51-64(7)8)124(210)156-77(34-42-103(187)188)116(202)148-59-97(179)150-71(20)112(198)163-87(52-65(9)10)126(212)162-82(136(222)223)32-39-95(141)177)155-99(181)57-145-96(178)56-147-115(201)76(33-41-102(185)186)154-100(182)60-149-129(215)91-27-24-46-173(91)134(220)73(22)151-98(180)58-146-111(197)70(19)152-121(207)84(49-62(3)4)165-118(204)79(35-43-104(189)190)160-133(219)110(69(17)18)172-128(214)90(55-107(195)196)168-117(203)75(26-23-45-144-137(142)143)158-132(218)109(68(15)16)171-120(206)78(30-37-93(139)175)157-125(211)88(53-66(11)12)166-127(213)89(54-106(193)194)167-119(205)80(36-44-105(191)192)159-131(217)108(67(13)14)170-114(200)74(138)29-40-101(183)184/h61-92,108-110H,23-60,138H2,1-22H3,(H2,139,175)(H2,140,176)(H2,141,177)(H,145,178)(H,146,197)(H,147,201)(H,148,202)(H,149,215)(H,150,179)(H,151,180)(H,152,207)(H,153,208)(H,154,182)(H,155,181)(H,156,210)(H,157,211)(H,158,218)(H,159,217)(H,160,219)(H,161,209)(H,162,212)(H,163,198)(H,164,199)(H,165,204)(H,166,213)(H,167,205)(H,168,203)(H,169,216)(H,170,200)(H,171,206)(H,172,214)(H,183,184)(H,185,186)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,222,223)(H4,142,143,144)/t70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,108-,109-,110-/m0/s1

InChIKey=YNYDBXCGKFIALM-LXWAIWELSA-N

CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCC(=O)O)N

pro_donors:43

pro_acceptors:86

XLogP3:0.0

Bulk/Fine:F