CID 71597735
Glprkilaaiakkkgkakgplklvaka
Structural Information
- Molecular Formula
- C129H238N38O28
- SMILES
- CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)CN
- InChI
- InChI=1S/C129H238N38O28/c1-21-76(13)103(164-109(175)82(19)144-105(171)78(15)146-119(185)93(64-71(3)4)162-126(192)104(77(14)22-2)165-118(184)91(49-30-38-60-137)157-116(182)92(50-39-61-141-129(139)140)159-123(189)98-52-41-63-167(98)127(193)96(67-74(9)10)151-99(168)68-138)125(191)148-81(18)108(174)154-88(46-27-35-57-134)114(180)156-89(47-28-36-58-135)115(181)155-85(43-24-32-54-131)110(176)142-69-100(169)150-86(44-25-33-55-132)112(178)145-79(16)106(172)152-84(42-23-31-53-130)111(177)143-70-101(170)166-62-40-51-97(166)122(188)161-94(65-72(5)6)120(186)158-90(48-29-37-59-136)117(183)160-95(66-73(7)8)121(187)163-102(75(11)12)124(190)147-80(17)107(173)153-87(45-26-34-56-133)113(179)149-83(20)128(194)195/h71-98,102-104H,21-70,130-138H2,1-20H3,(H,142,176)(H,143,177)(H,144,171)(H,145,178)(H,146,185)(H,147,190)(H,148,191)(H,149,179)(H,150,169)(H,151,168)(H,152,172)(H,153,173)(H,154,174)(H,155,181)(H,156,180)(H,157,182)(H,158,186)(H,159,189)(H,160,183)(H,161,188)(H,162,192)(H,163,187)(H,164,175)(H,165,184)(H,194,195)(H4,139,140,141)/t76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,102-,103-,104-/m0/s1
- InChIKey
- LXHDJXJLLZWSAE-QKSXZUPSSA-N
- Compound name
- (2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 2768.8440 | 468.6 |
[M+Na]+ | 2790.8259 | 446.6 |
[M-H]- | 2766.8294 | 464.3 |
[M+NH4]+ | 2785.8705 | 453.1 |
[M+K]+ | 2806.7999 | 446.5 |
[M+H-H2O]+ | 2750.8340 | 444.8 |
[M+HCOO]- | 2812.8349 | 446.3 |
[M+CH3COO]- | 2826.8506 | 441.4 |
[M+Na-2H]- | 2788.8114 | 464.7 |
[M]+ | 2767.8362 | 392.7 |
[M]- | 2767.8372 | 392.7 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.