350019-43-1

Structural Information

Molecular Formula

C₁₄₀H₂₃₀N₄₄O₂₇

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](CCCCN)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC5=CC=CC=C5)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](CC6=CNC7=CC=CC=C76)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](CCCNC(=N)N)N

InChI

InChI=1S/C140H230N44O27/c1-18-78(15)110(181-132(208)111(79(16)19-2)180-114(190)86(143)42-31-57-156-136(146)147)131(207)175-101(69-105(187)188)122(198)171-96(64-72(3)4)119(195)170-97(65-73(5)6)120(196)173-99(67-82-70-161-87-43-25-23-40-84(82)87)121(197)164-92(49-34-60-159-139(152)153)118(194)176-107(75(9)10)128(204)167-91(48-33-59-158-138(150)151)115(191)169-95(50-35-61-160-140(154)155)135(211)184-63-37-52-103(184)126(202)166-93(53-54-104(144)186)117(193)168-94(46-28-30-56-142)134(210)183-62-36-51-102(183)125(201)165-90(45-27-29-55-141)116(192)172-98(66-81-38-21-20-22-39-81)123(199)178-109(77(13)14)130(206)182-112(80(17)185)133(209)179-108(76(11)12)129(205)174-100(68-83-71-162-88-44-26-24-41-85(83)88)124(200)177-106(74(7)8)127(203)163-89(113(145)189)47-32-58-157-137(148)149/h20-26,38-41,43-44,70-80,86,89-103,106-112,161-162,185H,18-19,27-37,42,45-69,141-143H2,1-17H3,(H2,144,186)(H2,145,189)(H,163,203)(H,164,197)(H,165,201)(H,166,202)(H,167,204)(H,168,193)(H,169,191)(H,170,195)(H,171,198)(H,172,192)(H,173,196)(H,174,205)(H,175,207)(H,176,194)(H,177,200)(H,178,199)(H,179,209)(H,180,190)(H,181,208)(H,182,206)(H,187,188)(H4,146,147,156)(H4,148,149,157)(H4,150,151,158)(H4,152,153,159)(H4,154,155,160)/t78-,79-,80+,86-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,106-,107-,108-,109-,110-,111-,112-/m0/s1

InChIKey

ZPWVBRGFVGXRKZ-DMZHRTQBSA-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)-6-amino-1-[(2S)-2-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-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]-1-oxohexan-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 16130705