CID 16133676
Llkkvlkaaakaalnavlvgana
Structural Information
- Molecular Formula
- C103H187N29O26
- SMILES
- C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)O)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)N
- InChI
- InChI=1S/C103H187N29O26/c1-49(2)41-65(108)89(143)126-71(43-51(5)6)96(150)123-68(35-27-31-39-106)92(146)121-69(36-28-32-40-107)93(147)132-81(56(15)16)102(156)128-72(44-52(7)8)97(151)122-67(34-26-30-38-105)91(145)117-59(19)83(137)113-58(18)82(136)114-61(21)86(140)120-66(33-25-29-37-104)90(144)116-60(20)84(138)115-62(22)87(141)124-70(42-50(3)4)98(152)127-75(47-77(110)134)94(148)118-63(23)88(142)130-80(55(13)14)101(155)129-73(45-53(9)10)99(153)131-79(54(11)12)100(154)111-48-78(135)112-57(17)85(139)125-74(46-76(109)133)95(149)119-64(24)103(157)158/h49-75,79-81H,25-48,104-108H2,1-24H3,(H2,109,133)(H2,110,134)(H,111,154)(H,112,135)(H,113,137)(H,114,136)(H,115,138)(H,116,144)(H,117,145)(H,118,148)(H,119,149)(H,120,140)(H,121,146)(H,122,151)(H,123,150)(H,124,141)(H,125,139)(H,126,143)(H,127,152)(H,128,156)(H,129,155)(H,130,142)(H,131,153)(H,132,147)(H,157,158)/t57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,79-,80-,81-/m0/s1
- InChIKey
- AWOFYQXVZPPRME-RSBGAVCJSA-N
- Compound name
- (2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]propanoyl]amino]-4-oxobutanoyl]amino]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 2247.4275 | 522.0 |
[M+Na]+ | 2269.4094 | 495.7 |
[M-H]- | 2245.4129 | 520.4 |
[M+NH4]+ | 2264.4540 | 505.7 |
[M+K]+ | 2285.3834 | 495.3 |
[M+H-H2O]+ | 2229.4175 | 491.4 |
[M+HCOO]- | 2291.4184 | 498.2 |
[M+CH3COO]- | 2305.4341 | 492.6 |
[M+Na-2H]- | 2267.3949 | 524.3 |
[M]+ | 2246.4197 | 447.1 |
[M]- | 2246.4207 | 447.1 |
Literature stripe
Patent stripe
No patent data available for this compound.