Nrc-14

Structural Information

Molecular Formula

C₁₃₅H₁₉₈N₃₈O₃₁

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)CNC(=O)[C@H](C)N

InChI

InChI=1S/C135H198N38O31/c1-14-72(5)111(132(201)161-93(46-47-104(140)176)122(191)155-79(12)117(186)163-100(56-86-62-143-70-151-86)127(196)166-102(58-105(141)177)128(197)162-94(80(13)175)59-110(182)183)170-118(187)78(11)153-106(178)64-148-120(189)99(55-85-61-142-69-150-85)169-135(204)113(74(7)16-3)171-129(198)97(53-83-39-25-20-26-40-83)164-123(192)90(43-29-32-48-136)156-107(179)66-147-116(185)77(10)154-121(190)91(44-30-33-49-137)159-125(194)95(51-81-35-21-18-22-36-81)167-133(202)112(73(6)15-2)172-130(199)101(57-87-63-144-71-152-87)165-124(193)92(45-31-34-50-138)160-126(195)96(52-82-37-23-19-24-38-82)168-134(203)114(75(8)17-4)173-131(200)103(68-174)158-109(181)67-149-119(188)98(157-108(180)65-146-115(184)76(9)139)54-84-60-145-89-42-28-27-41-88(84)89/h18-28,35-42,60-63,69-79,90-103,111-114,145,174H,14-17,29-34,43-59,64-68,136-139H2,1-13H3,(H2,140,176)(H2,141,177)(H,142,150)(H,143,151)(H,144,152)(H,146,184)(H,147,185)(H,148,189)(H,149,188)(H,153,178)(H,154,190)(H,155,191)(H,156,179)(H,157,180)(H,158,181)(H,159,194)(H,160,195)(H,161,201)(H,162,197)(H,163,186)(H,164,192)(H,165,193)(H,166,196)(H,167,202)(H,168,203)(H,169,204)(H,170,187)(H,171,198)(H,172,199)(H,173,200)(H,182,183)/t72-,73-,74-,75-,76-,77-,78-,79-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,111-,112-,113-,114-/m0/s1

InChIKey

FOYXKWPNDPXLLA-DWSCFJRFSA-N

Compound name

(3S)-3-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[(2S)-2-aminopropanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]acetyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-oxobutanoyl]amino]-4-oxopentanoic acid

Related CIDs

• CID 16131778