Ac-teklwvtvyy gvpvwkeatt tlfc-nh2

Structural Information

Molecular Formula

C₁₃₈H₂₀₃N₂₉O₃₆S

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)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](CC3=CC=C(C=C3)O)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)NCC(=O)N[C@@H](C(C)C)C(=O)N5CCC[C@H]5C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC6=CNC7=CC=CC=C76)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)N[C@@H](CS)C(=O)N)NC(=O)C)O

InChI

InChI=1S/C138H203N29O36S/c1-67(2)56-95(151-121(186)92(39-28-30-54-140)147-122(187)94(50-52-106(179)180)150-133(198)111(74(14)168)146-79(19)173)123(188)154-101(62-84-64-143-90-37-26-24-35-88(84)90)128(193)160-109(71(9)10)132(197)164-114(77(17)171)135(200)162-108(70(7)8)131(196)156-99(60-82-43-47-86(175)48-44-82)125(190)152-97(59-81-41-45-85(174)46-42-81)118(183)144-65-104(176)159-110(72(11)12)138(203)167-55-31-40-103(167)129(194)161-107(69(5)6)130(195)157-100(61-83-63-142-89-36-25-23-34-87(83)89)127(192)148-91(38-27-29-53-139)120(185)149-93(49-51-105(177)178)119(184)145-73(13)117(182)163-113(76(16)170)136(201)166-115(78(18)172)137(202)165-112(75(15)169)134(199)155-96(57-68(3)4)124(189)153-98(58-80-32-21-20-22-33-80)126(191)158-102(66-204)116(141)181/h20-26,32-37,41-48,63-64,67-78,91-103,107-115,142-143,168-172,174-175,204H,27-31,38-40,49-62,65-66,139-140H2,1-19H3,(H2,141,181)(H,144,183)(H,145,184)(H,146,173)(H,147,187)(H,148,192)(H,149,185)(H,150,198)(H,151,186)(H,152,190)(H,153,189)(H,154,188)(H,155,199)(H,156,196)(H,157,195)(H,158,191)(H,159,176)(H,160,193)(H,161,194)(H,162,200)(H,163,182)(H,164,197)(H,165,202)(H,166,201)(H,177,178)(H,179,180)/t73-,74+,75+,76+,77+,78+,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,107-,108-,109-,110-,111-,112-,113-,114-,115-/m0/s1

InChIKey

DGCLPNXJLGXXHJ-DGQBARGWSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-6-aminohexanoyl]amino]-5-[[(2S)-1-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16204860