Nrc-03

Structural Information

Molecular Formula

C₁₃₃H₂₃₄N₄₈O₂₈

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)NCC(=O)NCC(=O)N[C@@H](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](CC(C)C)C(=O)C)NC(=O)[C@H](CCCNC(=N)N)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](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CN

InChI

InChI=1S/C133H234N48O28/c1-18-74(12)106(179-119(200)92(46-35-55-154-133(147)148)169-116(197)91(45-34-54-153-132(145)146)170-120(201)95(58-72(8)9)174-122(203)96(59-80-63-155-83-37-22-21-36-82(80)83)175-117(198)87(40-25-29-49-136)166-115(196)90(44-33-53-152-131(143)144)168-113(194)86(39-24-28-48-135)165-114(195)89(43-32-52-151-130(141)142)167-112(193)85(163-99(183)62-138)42-31-51-150-129(139)140)125(206)159-67-102(186)164-84(38-23-27-47-134)111(192)157-68-103(187)178-105(73(10)11)127(208)171-88(41-26-30-50-137)118(199)180-108(76(14)20-3)128(209)181-107(75(13)19-2)126(207)158-65-100(184)156-66-101(185)161-77(15)109(190)162-78(16)110(191)173-94(57-71(6)7)121(202)177-98(61-104(188)189)124(205)176-97(60-81-64-149-69-160-81)123(204)172-93(79(17)182)56-70(4)5/h21-22,36-37,63-64,69-78,84-98,105-108,155H,18-20,23-35,38-62,65-68,134-138H2,1-17H3,(H,149,160)(H,156,184)(H,157,192)(H,158,207)(H,159,206)(H,161,185)(H,162,190)(H,163,183)(H,164,186)(H,165,195)(H,166,196)(H,167,193)(H,168,194)(H,169,197)(H,170,201)(H,171,208)(H,172,204)(H,173,191)(H,174,203)(H,175,198)(H,176,205)(H,177,202)(H,178,187)(H,179,200)(H,180,199)(H,181,209)(H,188,189)(H4,139,140,150)(H4,141,142,151)(H4,143,144,152)(H4,145,146,153)(H4,147,148,154)/t74-,75-,76-,77-,78-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,105-,106-,107-,108-/m0/s1

InChIKey

LTWJSHCKHBKNNY-ATHVYWIXSA-N

Compound name

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

Related CIDs

• CID 16131767