184870-31-3

Structural Information

Molecular Formula

C₁₄₅H₂₅₀N₄₄O₂₉

SMILES

CC[C@H](C)[C@@H](C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CN

InChI

InChI=1S/C145H250N44O29/c1-22-81(15)113(119(150)196)182-128(205)99(50-39-63-162-145(157)158)175-136(213)115(83(17)24-3)186-139(216)117(85(19)26-5)185-135(212)107-52-41-65-189(107)141(218)112(80(13)14)181-138(215)118(86(20)27-6)187-140(217)116(84(18)25-4)184-134(211)106-51-40-64-188(106)111(195)75-166-122(199)103(69-88-53-55-90(191)56-54-88)178-126(203)95(45-31-34-58-147)170-125(202)94(44-30-33-57-146)172-132(209)104(70-89-72-163-92-43-29-28-42-91(89)92)176-120(197)87(21)167-123(200)97(48-37-61-160-143(153)154)173-131(208)102(68-79(11)12)179-137(214)114(82(16)23-2)183-129(206)96(46-32-35-59-148)171-124(201)93(47-36-60-159-142(151)152)168-110(194)74-165-121(198)100(66-77(7)8)177-133(210)105(76-190)180-127(204)98(49-38-62-161-144(155)156)174-130(207)101(67-78(9)10)169-109(193)73-164-108(192)71-149/h28-29,42-43,53-56,72,77-87,93-107,112-118,163,190-191H,22-27,30-41,44-52,57-71,73-76,146-149H2,1-21H3,(H2,150,196)(H,164,192)(H,165,198)(H,166,199)(H,167,200)(H,168,194)(H,169,193)(H,170,202)(H,171,201)(H,172,209)(H,173,208)(H,174,207)(H,175,213)(H,176,197)(H,177,210)(H,178,203)(H,179,214)(H,180,204)(H,181,215)(H,182,205)(H,183,206)(H,184,211)(H,185,212)(H,186,216)(H,187,217)(H4,151,152,159)(H4,153,154,160)(H4,155,156,161)(H4,157,158,162)/t81-,82-,83-,84-,85-,86-,87-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,112-,113-,114-,115-,116-,117-,118-/m0/s1

InChIKey

WMFBKFIMNMRQAY-MVPIGCMHSA-N

Compound name

(2S)-1-[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]-N-[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-[(2S)-2-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

Related CIDs

• CID 16131512