CID 392624
Nsc693203
Structural Information
- Molecular Formula
- C65H110N20O15
- SMILES
- CCC(C)C(C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)N)NC(=O)CNC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)C(C(C)C)NC(=O)C(C(C)O)NC(=O)C(CC(C)C)N
- InChI
- InChI=1S/C65H110N20O15/c1-11-35(8)52(83-50(89)31-75-57(93)47(29-38-30-74-41-18-13-12-17-39(38)41)82-62(98)51(34(6)7)84-64(100)53(37(10)86)85-56(92)40(67)27-32(2)3)63(99)80-43(19-14-15-25-66)59(95)78-45(22-24-49(69)88)60(96)81-46(28-33(4)5)61(97)79-44(21-23-48(68)87)58(94)76-36(9)55(91)77-42(54(70)90)20-16-26-73-65(71)72/h12-13,17-18,30,32-37,40,42-47,51-53,74,86H,11,14-16,19-29,31,66-67H2,1-10H3,(H2,68,87)(H2,69,88)(H2,70,90)(H,75,93)(H,76,94)(H,77,91)(H,78,95)(H,79,97)(H,80,99)(H,81,96)(H,82,98)(H,83,89)(H,84,100)(H,85,92)(H4,71,72,73)
- InChIKey
- MGOQBCHMQJPWOY-UHFFFAOYSA-N
- Compound name
- N-[1-[[5-amino-1-[[1-[[1-amino-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2-[[6-amino-2-[[2-[[2-[[2-[[2-[[2-[(2-amino-4-methylpentanoyl)amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]pentanediamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1411.8533 | 380.3 |
[M+Na]+ | 1433.8352 | 362.2 |
[M-H]- | 1409.8387 | 386.8 |
[M+NH4]+ | 1428.8798 | 375.0 |
[M+K]+ | 1449.8092 | 367.5 |
[M+H-H2O]+ | 1393.8433 | 350.4 |
[M+HCOO]- | 1455.8442 | 371.5 |
[M+CH3COO]- | 1469.8599 | 370.3 |
[M+Na-2H]- | 1431.8207 | 421.6 |
[M]+ | 1410.8455 | 381.8 |
[M]- | 1410.8465 | 381.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.