CID 16186602
Peptide derived from cdr3 region of cd4-inducible antibody 17b fused to the fc region of human igg1
Structural Information
- Molecular Formula
- C89H125N21O35
- SMILES
- C[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](C(C)C)N
- InChI
- InChI=1S/C89H125N21O35/c1-42(2)31-55(81(136)103-54(89(144)145)13-9-10-30-90)105-82(137)56(32-45-11-7-6-8-12-45)100-67(117)41-96-78(133)59(35-63(91)113)107-85(140)60(36-64(92)114)108-87(142)62(38-73(128)129)109-84(139)57(33-46-14-18-48(111)19-15-46)106-80(135)53(25-29-71(124)125)99-66(116)40-95-77(132)51(23-27-69(120)121)102-86(141)61(37-72(126)127)104-75(130)44(5)97-79(134)52(24-28-70(122)123)98-65(115)39-94-76(131)50(22-26-68(118)119)101-83(138)58(110-88(143)74(93)43(3)4)34-47-16-20-49(112)21-17-47/h6-8,11-12,14-21,42-44,50-62,74,111-112H,9-10,13,22-41,90,93H2,1-5H3,(H2,91,113)(H2,92,114)(H,94,131)(H,95,132)(H,96,133)(H,97,134)(H,98,115)(H,99,116)(H,100,117)(H,101,138)(H,102,141)(H,103,136)(H,104,130)(H,105,137)(H,106,135)(H,107,140)(H,108,142)(H,109,139)(H,110,143)(H,118,119)(H,120,121)(H,122,123)(H,124,125)(H,126,127)(H,128,129)(H,144,145)/t44-,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,74-/m0/s1
- InChIKey
- OHWSRPWPTRGQSB-ZPFWDFHOSA-N
- Compound name
- (2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]acetyl]amino]-4-carboxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-carboxypropanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]hexanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 2048.8720 | 441.7 |
[M+Na]+ | 2070.8539 | 414.4 |
[M-H]- | 2046.8574 | 446.5 |
[M+NH4]+ | 2065.8985 | 427.6 |
[M+K]+ | 2086.8279 | 417.3 |
[M+H-H2O]+ | 2030.8620 | 406.1 |
[M+HCOO]- | 2092.8629 | 422.4 |
[M+CH3COO]- | 2106.8786 | 419.2 |
[M+Na-2H]- | 2068.8394 | 463.9 |
[M]+ | 2047.8642 | 370.6 |
[M]- | 2047.8652 | 370.6 |
Literature stripe
Patent stripe
No patent data available for this compound.