Nrc-20

Structural Information

Molecular Formula

C₁₃₃H₂₁₂N₄₆O₃₁S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CC2=CN=CN2)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC4=CN=CN4)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC5=CN=CN5)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC6=CC=CC=C6)NC(=O)CN

InChI

InChI=1S/C133H212N46O31S/c1-14-74(10)109(179-106(187)63-152-111(191)90(46-70(2)3)168-123(203)93(160-103(184)56-136)49-77-28-17-15-18-29-77)130(210)174-92(48-72(6)7)122(202)169-94(50-78-30-19-16-20-31-78)124(204)170-95(51-79-57-144-66-154-79)113(193)153-62-105(186)178-108(73(8)9)129(209)175-98(54-82-60-147-69-157-82)126(206)171-96(52-80-58-145-67-155-80)112(192)151-61-104(185)159-83(34-25-42-148-131(138)139)115(195)162-85(33-22-24-41-135)116(196)161-84(32-21-23-40-134)114(194)158-75(11)110(190)167-91(47-71(4)5)121(201)172-97(53-81-59-146-68-156-81)125(205)166-89(39-45-211-13)120(200)173-99(55-102(137)183)127(207)177-101(65-181)128(208)165-88(37-38-107(188)189)119(199)164-86(35-26-43-149-132(140)141)117(197)163-87(36-27-44-150-133(142)143)118(198)176-100(64-180)76(12)182/h15-20,28-31,57-60,66-75,83-101,108-109,180-181H,14,21-27,32-56,61-65,134-136H2,1-13H3,(H2,137,183)(H,144,154)(H,145,155)(H,146,156)(H,147,157)(H,151,192)(H,152,191)(H,153,193)(H,158,194)(H,159,185)(H,160,184)(H,161,196)(H,162,195)(H,163,197)(H,164,199)(H,165,208)(H,166,205)(H,167,190)(H,168,203)(H,169,202)(H,170,204)(H,171,206)(H,172,201)(H,173,200)(H,174,210)(H,175,209)(H,176,198)(H,177,207)(H,178,186)(H,179,187)(H,188,189)(H4,138,139,148)(H4,140,141,149)(H4,142,143,150)/t74-,75-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,108-,109-/m0/s1

InChIKey

ZWHLWNGCWGMTGB-CKFRQINRSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-5-carbamimidamido-1-[[(2S)-5-carbamimidamido-1-[[(2S)-1-hydroxy-3-oxobutan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131784