ANP (3-28), RAT

90984-99-9

MFCD00076230

C119 H189 N43 O36 S2

2862.2

InChI=1S/C119H189N43O36S2/c1-8-59(5)92-112(195)142-49-87(171)143-61(7)94(177)147-71(34-35-84(121)168)101(184)156-78(52-163)98(181)141-50-89(173)145-72(41-58(3)4)96(179)140-51-90(174)146-82(110(193)153-75(45-85(122)169)105(188)158-79(53-164)107(190)152-74(43-63-23-14-11-15-24-63)104(187)149-69(28-19-39-136-118(129)130)99(182)155-77(114(197)198)44-64-30-32-65(167)33-31-64)56-199-200-57-83(160-109(192)81(55-166)159-108(191)80(54-165)157-100(183)68(27-18-38-135-117(127)128)148-95(178)66(120)25-16-36-133-115(123)124)111(194)151-73(42-62-21-12-10-13-22-62)97(180)139-47-86(170)138-48-88(172)144-67(26-17-37-134-116(125)126)102(185)162-93(60(6)9-2)113(196)154-76(46-91(175)176)106(189)150-70(103(186)161-92)29-20-40-137-119(131)132/h10-15,21-24,30-33,58-61,66-83,92-93,163-167H,8-9,16-20,25-29,34-57,120H2,1-7H3,(H2,121,168)(H2,122,169)(H,138,170)(H,139,180)(H,140,179)(H,141,181)(H,142,195)(H,143,171)(H,144,172)(H,145,173)(H,146,174)(H,147,177)(H,148,178)(H,149,187)(H,150,189)(H,151,194)(H,152,190)(H,153,193)(H,154,196)(H,155,182)(H,156,184)(H,157,183)(H,158,188)(H,159,191)(H,160,192)(H,161,186)(H,162,185)(H,175,176)(H,197,198)(H4,123,124,133)(H4,125,126,134)(H4,127,128,135)(H4,129,130,136)(H4,131,132,137)/t59-,60-,61-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,92-,93-/m0/s1

InChIKey=RVAPHXSIIJVIEQ-ICYMVEPSSA-N

CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)CC(=O)O)[C@@H](C)CC)CCCNC(=N)N)Cc2ccccc2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc3ccccc3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc4ccc(cc4)O)C(=O)O)CC(C)C)CO)CCC(=O)N)C

H bond donor:50

H bond acceptor:79

XLogP3:0.0

Bulk/Fine:F