Rev arm

Structural Information

Molecular Formula

C₁₁₆H₂₀₃N₅₇O₃₁S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)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](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N)NC(=O)CCC(=O)O)O

InChI

InChI=1S/C116H203N57O31S/c1-53(86(184)152-54(2)87(185)154-56(4)90(188)172-77(52-205)85(120)183)153-88(186)55(3)155-91(189)62(21-9-39-141-107(121)122)158-102(200)73(32-35-79(118)176)167-97(195)66(25-13-43-145-111(129)130)163-103(201)74(33-37-82(179)180)168-98(196)68(27-15-45-147-113(133)134)164-104(202)75(49-59-51-151-61-20-8-7-19-60(59)61)170-100(198)69(28-16-46-148-114(135)136)162-95(193)65(24-12-42-144-110(127)128)159-94(192)64(23-11-41-143-109(125)126)160-96(194)67(26-14-44-146-112(131)132)165-105(203)76(50-80(119)177)171-101(199)70(29-17-47-149-115(137)138)161-93(191)63(22-10-40-142-108(123)124)157-89(187)57(5)156-92(190)72(31-34-78(117)175)166-99(197)71(30-18-48-150-116(139)140)169-106(204)84(58(6)174)173-81(178)36-38-83(181)182/h7-8,19-20,51,53-58,62-77,84,151,174,205H,9-18,21-50,52H2,1-6H3,(H2,117,175)(H2,118,176)(H2,119,177)(H2,120,183)(H,152,184)(H,153,186)(H,154,185)(H,155,189)(H,156,190)(H,157,187)(H,158,200)(H,159,192)(H,160,194)(H,161,191)(H,162,193)(H,163,201)(H,164,202)(H,165,203)(H,166,197)(H,167,195)(H,168,196)(H,169,204)(H,170,198)(H,171,199)(H,172,188)(H,173,178)(H,179,180)(H,181,182)(H4,121,122,141)(H4,123,124,142)(H4,125,126,143)(H4,127,128,144)(H4,129,130,145)(H4,131,132,146)(H4,133,134,147)(H4,135,136,148)(H4,137,138,149)(H4,139,140,150)/t53-,54-,55-,56-,57-,58+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,84-/m0/s1

InChIKey

LAUTYQLKZCDSJO-JPZSKESBSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-carbamimidamido-2-[[(2S,3R)-2-(3-carboxypropanoylamino)-3-hydroxybutanoyl]amino]pentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130191