CID 16186105
A-l-l-f-a-l-l-f-a-l-l-f-a-l-l-f-a-l-l-f-a-l-l-f
Structural Information
- Molecular Formula
- C144H218N24O25
- SMILES
- C[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)O)N
- InChI
- InChI=1S/C144H218N24O25/c1-79(2)61-103(151-121(169)91(25)145)132(180)157-109(67-85(13)14)138(186)163-115(73-97-49-37-31-38-50-97)127(175)146-92(26)122(170)152-104(62-80(3)4)133(181)158-110(68-86(15)16)139(187)164-116(74-98-51-39-32-40-52-98)128(176)147-93(27)123(171)153-105(63-81(5)6)134(182)159-111(69-87(17)18)140(188)165-117(75-99-53-41-33-42-54-99)129(177)148-94(28)124(172)154-106(64-82(7)8)135(183)160-112(70-88(19)20)141(189)166-118(76-100-55-43-34-44-56-100)130(178)149-95(29)125(173)155-107(65-83(9)10)136(184)161-113(71-89(21)22)142(190)167-119(77-101-57-45-35-46-58-101)131(179)150-96(30)126(174)156-108(66-84(11)12)137(185)162-114(72-90(23)24)143(191)168-120(144(192)193)78-102-59-47-36-48-60-102/h31-60,79-96,103-120H,61-78,145H2,1-30H3,(H,146,175)(H,147,176)(H,148,177)(H,149,178)(H,150,179)(H,151,169)(H,152,170)(H,153,171)(H,154,172)(H,155,173)(H,156,174)(H,157,180)(H,158,181)(H,159,182)(H,160,183)(H,161,184)(H,162,185)(H,163,186)(H,164,187)(H,165,188)(H,166,189)(H,167,190)(H,168,191)(H,192,193)/t91-,92-,93-,94-,95-,96-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-/m0/s1
- InChIKey
- BZVPTRYRPJVCRR-VNVMFTCMSA-N
- Compound name
- (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)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 2684.6599 | 520.1 |
[M+Na]+ | 2706.6418 | 498.3 |
[M-H]- | 2682.6453 | 522.2 |
[M+NH4]+ | 2701.6864 | 506.8 |
[M+K]+ | 2722.6158 | 495.2 |
[M+H-H2O]+ | 2666.6499 | 487.6 |
[M+HCOO]- | 2728.6508 | 499.8 |
[M+CH3COO]- | 2742.6665 | 494.3 |
[M+Na-2H]- | 2704.6273 | 527.8 |
[M]+ | 2683.6521 | 460.4 |
[M]- | 2683.6531 | 460.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.