Ac-cttavpwnas wsnksleqiw nnmtwme-nh2

Structural Information

Molecular Formula

C₁₄₅H₂₁₀N₃₈O₄₃S₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCSC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CCC(=O)O)C(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC7=CNC8=CC=CC=C87)NC(=O)[C@@H]9CCCN9C(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C145H210N38O43S3/c1-15-68(6)115(141(222)173-97(53-78-61-156-86-34-23-19-30-82(78)86)131(212)169-101(57-111(151)195)135(216)170-99(55-109(149)193)134(215)165-92(44-48-229-14)126(207)180-117(72(10)188)143(224)174-96(52-77-60-155-85-33-22-18-29-81(77)85)129(210)164-91(43-47-228-13)124(205)160-87(119(152)200)38-41-112(196)197)179-125(206)89(37-40-107(147)191)162-123(204)90(39-42-113(198)199)163-128(209)93(49-66(2)3)166-137(218)103(63-185)176-122(203)88(35-24-25-45-146)161-133(214)100(56-110(150)194)171-138(219)104(64-186)177-132(213)94(50-75-58-153-83-31-20-16-27-79(75)83)167-136(217)102(62-184)175-120(201)69(7)157-127(208)98(54-108(148)192)168-130(211)95(51-76-59-154-84-32-21-17-28-80(76)84)172-140(221)106-36-26-46-183(106)145(226)114(67(4)5)178-121(202)70(8)158-142(223)116(71(9)187)182-144(225)118(73(11)189)181-139(220)105(65-227)159-74(12)190/h16-23,27-34,58-61,66-73,87-106,114-118,153-156,184-189,227H,15,24-26,35-57,62-65,146H2,1-14H3,(H2,147,191)(H2,148,192)(H2,149,193)(H2,150,194)(H2,151,195)(H2,152,200)(H,157,208)(H,158,223)(H,159,190)(H,160,205)(H,161,214)(H,162,204)(H,163,209)(H,164,210)(H,165,215)(H,166,218)(H,167,217)(H,168,211)(H,169,212)(H,170,216)(H,171,219)(H,172,221)(H,173,222)(H,174,224)(H,175,201)(H,176,203)(H,177,213)(H,178,202)(H,179,206)(H,180,207)(H,181,220)(H,182,225)(H,196,197)(H,198,199)/t68-,69-,70-,71+,72+,73+,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,114-,115-,116-,117-,118-/m0/s1

InChIKey

PGUFENFRHOZBIW-ZOHYBSQISA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutanoyl]amino]propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-5-amino-5-oxopentanoic acid

Related CIDs

• CID 16204878