Nrc-11

Structural Information

Molecular Formula

C₁₃₀H₂₁₀N₃₆O₃₀

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)NCC(=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](CC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)N[C@@H](CC(C)C)C(=O)C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)CN)O

InChI

InChI=1S/C130H210N36O30/c1-69(2)53-92(77(15)168)156-121(188)95(57-80-43-45-83(170)46-44-80)158-123(190)98(59-82-63-139-68-145-82)159-124(191)99(60-105(175)176)160-119(186)94(55-71(5)6)157-111(178)76(14)147-118(185)93(54-70(3)4)150-103(173)65-142-102(172)64-143-127(194)107(73(9)10)165-129(196)109(78(16)169)166-116(183)86(37-22-27-47-131)148-104(174)66-144-126(193)106(72(7)8)163-117(184)90(41-26-31-51-135)153-113(180)88(39-24-29-49-133)151-110(177)75(13)146-112(179)87(38-23-28-48-132)152-114(181)91(42-32-52-140-130(137)138)155-120(187)96(56-79-33-18-17-19-34-79)161-128(195)108(74(11)12)164-125(192)100(67-167)162-115(182)89(40-25-30-50-134)154-122(189)97(149-101(171)61-136)58-81-62-141-85-36-21-20-35-84(81)85/h17-21,33-36,43-46,62-63,68-76,78,86-100,106-109,141,167,169-170H,22-32,37-42,47-61,64-67,131-136H2,1-16H3,(H,139,145)(H,142,172)(H,143,194)(H,144,193)(H,146,179)(H,147,185)(H,148,174)(H,149,171)(H,150,173)(H,151,177)(H,152,181)(H,153,180)(H,154,189)(H,155,187)(H,156,188)(H,157,178)(H,158,190)(H,159,191)(H,160,186)(H,161,195)(H,162,182)(H,163,184)(H,164,192)(H,165,196)(H,166,183)(H,175,176)(H4,137,138,140)/t75-,76-,78+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,106-,107-,108-,109-/m0/s1

InChIKey

HTDJMMGADYFBCS-GMHXGFMTSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S)-1-[[(2S)-3-(4-hydroxyphenyl)-1-[[(3S)-5-methyl-2-oxohexan-3-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16131775