Mt-sc21ek

Structural Information

Molecular Formula

C₁₃₈H₂₁₇N₃₁O₄₁S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)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@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCSC)N

InChI

InChI=1S/C138H217N31O41S/c1-12-73(6)111(165-126(197)90(38-22-28-61-142)148-117(188)87(35-19-25-58-139)150-130(201)103(69-110(185)186)163-129(200)101(67-79-70-146-85-33-17-15-31-82(79)85)162-125(196)95(48-54-107(179)180)151-120(191)92(45-51-104(173)174)154-128(199)102(68-80-71-147-86-34-18-16-32-83(80)86)164-137(208)114(76(9)170)168-116(187)84(145)57-64-211-11)134(205)158-97(50-56-109(183)184)122(193)153-94(47-53-106(177)178)124(195)161-100(66-78-41-43-81(172)44-42-78)132(203)169-115(77(10)171)136(207)156-88(36-20-26-59-140)118(189)149-91(39-23-29-62-143)127(198)166-112(74(7)13-2)135(206)157-96(49-55-108(181)182)121(192)152-93(46-52-105(175)176)123(194)160-99(65-72(4)5)131(202)167-113(75(8)14-3)133(204)155-89(37-21-27-60-141)119(190)159-98(138(209)210)40-24-30-63-144/h15-18,31-34,41-44,70-77,84,87-103,111-115,146-147,170-172H,12-14,19-30,35-40,45-69,139-145H2,1-11H3,(H,148,188)(H,149,189)(H,150,201)(H,151,191)(H,152,192)(H,153,193)(H,154,199)(H,155,204)(H,156,207)(H,157,206)(H,158,205)(H,159,190)(H,160,194)(H,161,195)(H,162,196)(H,163,200)(H,164,208)(H,165,197)(H,166,198)(H,167,202)(H,168,187)(H,169,203)(H,173,174)(H,175,176)(H,177,178)(H,179,180)(H,181,182)(H,183,184)(H,185,186)(H,209,210)/t73-,74-,75-,76+,77+,84-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,111-,112-,113-,114-,115-/m0/s1

InChIKey

DPLFVLXSUXCBTP-VZHBQYCSSA-N

Compound name

(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoic acid

Related CIDs

• CID 71598090