Ac-csfnistsir gkvqkeyaff ykld-nh2

Structural Information

Molecular Formula

C₁₃₃H₂₀₁N₃₃O₃₇S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C133H201N33O37S/c1-12-71(7)107(165-126(197)98(66-168)162-132(203)109(74(10)170)166-127(198)99(67-169)161-131(202)108(72(8)13-2)164-124(195)96(62-102(138)175)159-123(194)94(59-78-34-21-16-22-35-78)158-125(196)97(65-167)160-128(199)100(68-204)145-75(11)171)130(201)150-83(39-29-55-142-133(140)141)112(183)143-64-103(176)146-84(36-23-26-52-134)117(188)163-106(70(5)6)129(200)151-87(48-50-101(137)174)115(186)147-85(37-24-27-53-135)113(184)149-88(49-51-104(177)178)116(187)155-91(60-79-40-44-81(172)45-41-79)118(189)144-73(9)111(182)153-92(57-76-30-17-14-18-31-76)121(192)156-93(58-77-32-19-15-20-33-77)122(193)157-95(61-80-42-46-82(173)47-43-80)120(191)148-86(38-25-28-54-136)114(185)154-90(56-69(3)4)119(190)152-89(110(139)181)63-105(179)180/h14-22,30-35,40-47,69-74,83-100,106-109,167-170,172-173,204H,12-13,23-29,36-39,48-68,134-136H2,1-11H3,(H2,137,174)(H2,138,175)(H2,139,181)(H,143,183)(H,144,189)(H,145,171)(H,146,176)(H,147,186)(H,148,191)(H,149,184)(H,150,201)(H,151,200)(H,152,190)(H,153,182)(H,154,185)(H,155,187)(H,156,192)(H,157,193)(H,158,196)(H,159,194)(H,160,199)(H,161,202)(H,162,203)(H,163,188)(H,164,195)(H,165,197)(H,166,198)(H,177,178)(H,179,180)(H4,140,141,142)/t71-,72-,73-,74+,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,106-,107-,108-,109-/m0/s1

InChIKey

WQEIARMFWHSJLI-AVIAIIOKSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]acetyl]amino]-6-aminohexanoyl]amino]-3-methylbutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-6-aminohexanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16204865