R8-rnase

Structural Information

Molecular Formula

C₁₂₆H₂₂₁N₅₇O₃₄S

SMILES

CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CO)C(=O)N)NC(=O)[C@H](CC1=CN=CN1)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)CSCC(=O)N[C@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N

InChI

InChI=1S/C126H221N57O34S/c1-6-7-26-72(109(209)181-86(57-93(193)194)116(216)182-87(59-184)96(131)196)175-115(215)85(56-68-58-150-62-160-68)180-112(212)81(38-41-88(129)186)176-108(208)80(37-23-54-159-126(148)149)174-111(211)82(39-42-91(189)190)178-114(214)84(55-67-24-9-8-10-25-67)179-110(210)73(28-12-14-45-128)167-99(199)65(4)162-97(197)63(2)161-98(198)64(3)163-117(217)94(66(5)185)183-113(213)83(40-43-92(191)192)177-100(200)70(27-11-13-44-127)164-89(187)60-218-61-90(188)165-71(30-16-47-152-119(134)135)101(201)168-75(32-18-49-154-121(138)139)103(203)170-77(34-20-51-156-123(142)143)105(205)172-79(36-22-53-158-125(146)147)107(207)173-78(35-21-52-157-124(144)145)106(206)171-76(33-19-50-155-122(140)141)104(204)169-74(31-17-48-153-120(136)137)102(202)166-69(95(130)195)29-15-46-151-118(132)133/h8-10,24-25,58,62-66,69-87,94,184-185H,6-7,11-23,26-57,59-61,127-128H2,1-5H3,(H2,129,186)(H2,130,195)(H2,131,196)(H,150,160)(H,161,198)(H,162,197)(H,163,217)(H,164,187)(H,165,188)(H,166,202)(H,167,199)(H,168,201)(H,169,204)(H,170,203)(H,171,206)(H,172,205)(H,173,207)(H,174,211)(H,175,215)(H,176,208)(H,177,200)(H,178,214)(H,179,210)(H,180,212)(H,181,209)(H,182,216)(H,183,213)(H,189,190)(H,191,192)(H,193,194)(H4,132,133,151)(H4,134,135,152)(H4,136,137,153)(H4,138,139,154)(H4,140,141,155)(H4,142,143,156)(H4,144,145,157)(H4,146,147,158)(H4,148,149,159)/t63-,64-,65-,66+,69-,70-,71+,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,94-/m0/s1

InChIKey

XABONOHRFHUBAI-DNDHHAJGSA-N

Compound name

(4S)-5-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-[[(2S)-6-amino-2-[[2-[2-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]sulfanylacetyl]amino]hexanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197750