Nrc-05

Structural Information

Molecular Formula

C₁₂₁H₁₈₈N₃₈O₂₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC3=CN=CN3)C(=O)NCC(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CC5=CN=CN5)C(=O)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CC=CC=C6)N

InChI

InChI=1S/C121H188N38O26S/c1-17-66(9)99(156-104(169)71(14)143-95(164)57-135-106(171)80(34-27-28-39-122)146-117(182)101(68(11)19-3)158-115(180)86(43-65(7)8)149-103(168)70(13)142-96(165)58-136-107(172)85(42-64(5)6)150-105(170)79(123)44-73-30-23-21-24-31-73)119(184)154-88(47-76-52-129-61-139-76)108(173)134-55-94(163)133-56-97(166)144-81(35-29-40-132-121(126)127)110(175)151-87(45-74-32-25-22-26-33-74)116(181)159-102(69(12)20-4)120(185)155-89(48-77-53-130-62-140-77)109(174)137-59-98(167)145-83(38-41-186-16)112(177)157-100(67(10)18-2)118(183)147-82(36-37-92(124)161)111(176)153-91(50-93(125)162)114(179)152-90(49-78-54-131-63-141-78)113(178)148-84(72(15)160)46-75-51-128-60-138-75/h21-26,30-33,51-54,60-71,79-91,99-102H,17-20,27-29,34-50,55-59,122-123H2,1-16H3,(H2,124,161)(H2,125,162)(H,128,138)(H,129,139)(H,130,140)(H,131,141)(H,133,163)(H,134,173)(H,135,171)(H,136,172)(H,137,174)(H,142,165)(H,143,164)(H,144,166)(H,145,167)(H,146,182)(H,147,183)(H,148,178)(H,149,168)(H,150,170)(H,151,175)(H,152,179)(H,153,176)(H,154,184)(H,155,185)(H,156,169)(H,157,177)(H,158,180)(H,159,181)(H4,126,127,132)/t66-,67-,68-,69-,70-,71-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,99-,100-,101-,102-/m0/s1

InChIKey

YWXIMCRHPLXYFH-TWALIAGRSA-N

Compound name

(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-N-[(2S)-4-amino-1-[[(2S)-3-(1H-imidazol-5-yl)-1-[[(2S)-1-(1H-imidazol-5-yl)-3-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]pentanediamide

Related CIDs

• CID 16131769