Caps-mt

Structural Information

Molecular Formula

C₁₃₉H₂₂₁N₃₅O₃₃S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C)C(=O)N[C@@H](C)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](CCC(=O)N)C(=O)NCC(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]6CCCN6C(=O)[C@H](C)N

InChI

InChI=1S/C139H221N35O33S/c1-21-73(9)110(171-127(195)98(52-55-109(180)181)161-123(191)95(44-35-60-147-139(145)146)158-117(185)83(19)154-129(197)103(66-85-68-148-90-39-27-25-37-88(85)90)168-126(194)99(56-62-208-20)162-130(198)104(67-86-69-149-91-40-28-26-38-89(86)91)169-125(193)97(51-54-108(178)179)160-121(189)93(42-30-33-58-141)163-133(201)105-45-36-61-174(105)137(205)77(13)143)134(202)155-78(14)115(183)152-81(17)119(187)166-102(65-84-46-48-87(175)49-47-84)128(196)153-82(18)116(184)157-92(41-29-32-57-140)124(192)167-101(64-72(7)8)132(200)172-111(74(10)22-2)135(203)156-79(15)114(182)151-80(16)118(186)165-100(63-71(5)6)131(199)173-112(75(11)23-3)136(204)164-94(43-31-34-59-142)122(190)159-96(50-53-106(144)176)120(188)150-70-107(177)170-113(138(206)207)76(12)24-4/h25-28,37-40,46-49,68-69,71-83,92-105,110-113,148-149,175H,21-24,29-36,41-45,50-67,70,140-143H2,1-20H3,(H2,144,176)(H,150,188)(H,151,182)(H,152,183)(H,153,196)(H,154,197)(H,155,202)(H,156,203)(H,157,184)(H,158,185)(H,159,190)(H,160,189)(H,161,191)(H,162,198)(H,163,201)(H,164,204)(H,165,186)(H,166,187)(H,167,192)(H,168,194)(H,169,193)(H,170,177)(H,171,195)(H,172,200)(H,173,199)(H,178,179)(H,180,181)(H,206,207)(H4,145,146,147)/t73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,110-,111-,112-,113-/m0/s1

InChIKey

YEPZCLIDYFAEOD-WYKQDCPUSA-N

Compound name

(2S,3S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-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)-6-amino-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]acetyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16131470