Nppdhsaplgatrpsapplphvvdlpqlgp

Structural Information

Molecular Formula

C₁₃₇H₂₁₅N₃₉O₄₀

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC5=CN=CN5)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N7CCC[C@H]7C(=O)O)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]8CCCN8C(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)[C@H](CC9=CN=CN9)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)N)N)O

InChI

InChI=1S/C137H215N39O40/c1-66(2)49-81(111(190)147-61-103(183)168-40-26-36-99(168)136(215)216)155-112(191)79(37-38-100(139)180)153-119(198)92-29-20-43-171(92)132(211)87(51-68(5)6)161-115(194)86(57-105(186)187)160-125(204)106(70(9)10)166-126(205)107(71(11)12)165-116(195)84(54-77-59-144-65-149-77)158-121(200)93-30-21-44-172(93)133(212)88(52-69(7)8)162-123(202)96-33-23-46-174(96)134(213)97-34-24-47-175(97)129(208)74(15)152-118(197)90(63-178)164-124(203)94-31-19-42-170(94)131(210)80(27-17-39-145-137(141)142)154-127(206)108(75(16)179)167-109(188)72(13)150-102(182)60-146-110(189)82(50-67(3)4)157-120(199)91-28-18-41-169(91)128(207)73(14)151-117(196)89(62-177)163-113(192)83(53-76-58-143-64-148-76)156-114(193)85(56-104(184)185)159-122(201)95-32-22-45-173(95)135(214)98-35-25-48-176(98)130(209)78(138)55-101(140)181/h58-59,64-75,78-99,106-108,177-179H,17-57,60-63,138H2,1-16H3,(H2,139,180)(H2,140,181)(H,143,148)(H,144,149)(H,146,189)(H,147,190)(H,150,182)(H,151,196)(H,152,197)(H,153,198)(H,154,206)(H,155,191)(H,156,193)(H,157,199)(H,158,200)(H,159,201)(H,160,204)(H,161,194)(H,162,202)(H,163,192)(H,164,203)(H,165,195)(H,166,205)(H,167,188)(H,184,185)(H,186,187)(H,215,216)(H4,141,142,145)/t72-,73-,74-,75+,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,106-,107-,108-/m0/s1

InChIKey

WKWCZFIDHKQSEQ-HWKUEQSHSA-N

Compound name

(2S)-1-[2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-5-carbamimidamido-2-[[(2S,3R)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-[[(2S)-1-[(2S)-1-[(2S)-2,4-diamino-4-oxobutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]-3-hydroxybutanoyl]amino]pentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid

Related CIDs

• CID 71597986