Riidllwrvrrpqwpkfvtvwv

Structural Information

Molecular Formula

C₁₄₅H₂₂₇N₄₃O₂₇

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC8=CNC9=CC=CC=C98)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C=O)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C145H227N43O27/c1-18-81(15)116(185-137(212)117(82(16)19-2)184-119(194)92(147)44-32-58-160-142(151)152)136(211)178-106(70-111(192)193)127(202)174-101(64-75(3)4)124(199)173-102(65-76(5)6)125(200)176-104(67-85-71-164-93-45-26-23-41-89(85)93)126(201)168-98(50-34-60-162-144(155)156)123(198)180-113(78(9)10)133(208)171-97(49-33-59-161-143(153)154)120(195)172-100(51-35-61-163-145(157)158)139(214)187-62-36-52-108(187)131(206)170-99(54-55-110(148)191)122(197)179-107(69-87-73-166-95-47-28-25-43-91(87)95)140(215)188-63-37-53-109(188)130(205)169-96(48-29-30-56-146)121(196)175-103(66-84-38-21-20-22-39-84)128(203)182-115(80(13)14)135(210)186-118(83(17)190)138(213)183-114(79(11)12)134(209)177-105(68-86-72-165-94-46-27-24-42-90(86)94)129(204)181-112(77(7)8)132(207)167-88(74-189)40-31-57-159-141(149)150/h20-28,38-39,41-43,45-47,71-83,88,92,96-109,112-118,164-166,190H,18-19,29-37,40,44,48-70,146-147H2,1-17H3,(H2,148,191)(H,167,207)(H,168,201)(H,169,205)(H,170,206)(H,171,208)(H,172,195)(H,173,199)(H,174,202)(H,175,196)(H,176,200)(H,177,209)(H,178,211)(H,179,197)(H,180,198)(H,181,204)(H,182,203)(H,183,213)(H,184,194)(H,185,212)(H,186,210)(H,192,193)(H4,149,150,159)(H4,151,152,160)(H4,153,154,161)(H4,155,156,162)(H4,157,158,163)/t81-,82-,83+,88-,92-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,112-,113-,114-,115-,116-,117-,118-/m0/s1

InChIKey

RGQFYOPMCXHTPZ-CXEUGAPUSA-N

Compound name

(3S)-4-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-5-amino-1-[[(2S)-1-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-2-amino-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16129744