CID 25084601
Nh2-arg-lys-lys-arg-arg-gln-arg-arg-arg-pro-pro-gln-val-cooh
Structural Information
- Molecular Formula
- C73H137N35O16
- SMILES
- CC(C)[C@@H](C(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCN=C(N)N)N
- InChI
- InChI=1S/C73H137N35O16/c1-39(2)54(67(123)124)106-63(119)48(26-28-53(78)110)104-64(120)50-23-13-37-107(50)66(122)51-24-14-38-108(51)65(121)49(22-12-36-96-73(89)90)105-61(117)46(21-11-35-95-72(87)88)101-59(115)44(19-9-33-93-70(83)84)102-62(118)47(25-27-52(77)109)103-60(116)45(20-10-34-94-71(85)86)100-58(114)43(18-8-32-92-69(81)82)99-57(113)42(17-4-6-30-75)98-56(112)41(16-3-5-29-74)97-55(111)40(76)15-7-31-91-68(79)80/h39-51,54H,3-38,74-76H2,1-2H3,(H2,77,109)(H2,78,110)(H,97,111)(H,98,112)(H,99,113)(H,100,114)(H,101,115)(H,102,118)(H,103,116)(H,104,120)(H,105,117)(H,106,119)(H,123,124)(H4,79,80,91)(H4,81,82,92)(H4,83,84,93)(H4,85,86,94)(H4,87,88,95)(H4,89,90,96)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-,54-/m0/s1
- InChIKey
- QAYYPZDTHVKOBF-VZQDPNQRSA-N
- Compound name
- (2S)-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-methylbutanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
| Adduct | m/z | Predicted CCS (Ų) |
|---|---|---|
| [M+H]+ | 1761.1056 | 302.6 |
| [M+Na]+ | 1783.0875 | 281.5 |
| [M-H]- | 1759.0910 | 301.9 |
| [M+NH4]+ | 1778.1321 | 292.1 |
| [M+K]+ | 1799.0615 | 291.1 |
| [M+H-H2O]+ | 1743.0956 | 279.6 |
| [M+HCOO]- | 1805.0965 | 289.2 |
| [M+CH3COO]- | 1819.1122 | 288.7 |
| [M+Na-2H]- | 1781.0730 | 334.7 |
| [M]+ | 1760.0978 | 256.3 |
| [M]- | 1760.0988 | 256.3 |
Literature stripe
Patent stripe
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