CID 3013473
Nh2-his-leu-glu-his-leu-leu-phe-cooh
Structural Information
- Molecular Formula
- C44H65N11O10
- SMILES
- CC(C)C[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CN=CN1)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)O)NC(=O)[C@H](CC3=CN=CN3)N
- InChI
- InChI=1S/C44H65N11O10/c1-24(2)14-32(51-38(58)30(45)18-28-20-46-22-48-28)40(60)50-31(12-13-37(56)57)39(59)54-35(19-29-21-47-23-49-29)43(63)53-33(15-25(3)4)41(61)52-34(16-26(5)6)42(62)55-36(44(64)65)17-27-10-8-7-9-11-27/h7-11,20-26,30-36H,12-19,45H2,1-6H3,(H,46,48)(H,47,49)(H,50,60)(H,51,58)(H,52,61)(H,53,63)(H,54,59)(H,55,62)(H,56,57)(H,64,65)/t30-,31-,32-,33-,34-,35-,36-/m0/s1
- InChIKey
- DWQAZFUCQCGNIB-QJCLFNHPSA-N
- Compound name
- (4S)-4-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 908.49888 | 294.7 |
[M+Na]+ | 930.48082 | 291.9 |
[M-H]- | 906.48432 | 298.2 |
[M+NH4]+ | 925.52542 | 296.3 |
[M+K]+ | 946.45476 | 289.4 |
[M+H-H2O]+ | 890.48886 | 267.6 |
[M+HCOO]- | 952.48980 | 295.7 |
[M+CH3COO]- | 966.50545 | 297.6 |
[M+Na-2H]- | 928.46627 | 319.0 |
[M]+ | 907.49105 | 337.5 |
[M]- | 907.49215 | 337.5 |
Literature stripe
Patent stripe
No patent data available for this compound.