Nrc-17

Structural Information

Molecular Formula

C₁₁₇H₁₉₂N₃₆O₂₅

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)CN

InChI

InChI=1S/C117H192N36O25/c1-14-66(8)98(116(178)147-80(35-20-25-43-119)104(166)132-60-97(160)141-87(49-64(4)5)111(173)138-69(11)101(163)152-92(61-154)71(13)155)153-102(164)70(12)136-99(161)68(10)137-106(168)85(40-41-93(124)156)139-96(159)59-133-105(167)86(48-63(2)3)148-115(177)91(53-74-57-127-62-134-74)151-109(171)81(36-21-26-44-120)142-100(162)67(9)135-95(158)58-131-103(165)79(34-19-24-42-118)143-108(170)84(39-29-47-128-117(125)126)146-112(174)88(50-65(6)7)149-114(176)90(52-73-56-130-78-33-18-16-31-76(73)78)150-110(172)83(38-23-28-46-122)144-107(169)82(37-22-27-45-121)145-113(175)89(140-94(157)54-123)51-72-55-129-77-32-17-15-30-75(72)77/h15-18,30-33,55-57,62-70,79-92,98,129-130,154H,14,19-29,34-54,58-61,118-123H2,1-13H3,(H2,124,156)(H,127,134)(H,131,165)(H,132,166)(H,133,167)(H,135,158)(H,136,161)(H,137,168)(H,138,173)(H,139,159)(H,140,157)(H,141,160)(H,142,162)(H,143,170)(H,144,169)(H,145,175)(H,146,174)(H,147,178)(H,148,177)(H,149,176)(H,150,172)(H,151,171)(H,152,163)(H,153,164)(H4,125,126,128)/t66-,67-,68-,69-,70-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,98-/m0/s1

InChIKey

CIYYFKQQWUNOCO-KHFLCAAXSA-N

Compound name

(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-N-[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pentanediamide

Related CIDs

• CID 16131781