CID 156963392
Gamma-melanotropin
Structural Information
- Molecular Formula
- C72H96N20O15S
- SMILES
- CC(C)C(C(=NC(CCSC)C(=NCC(=NC(CC1=CN=CN1)C(=NC(CC2=CC=CC=C2)C(=NC(CCCNC(=N)N)C(=NC(CC3=CNC4=CC=CC=C43)C(=NC(CC(=O)O)C(=NC(CCCNC(=N)N)C(=NC(CC5=CC=CC=C5)C(=O)O)O)O)O)O)O)O)O)O)O)N=C(C(CC6=CC=C(C=C6)O)N)O
- InChI
- InChI=1S/C72H96N20O15S/c1-40(2)60(92-61(97)48(73)30-43-22-24-46(93)25-23-43)69(105)87-52(26-29-108-3)62(98)82-38-58(94)84-55(34-45-37-78-39-83-45)67(103)88-53(31-41-14-6-4-7-15-41)65(101)85-50(20-12-27-79-71(74)75)63(99)89-54(33-44-36-81-49-19-11-10-18-47(44)49)66(102)90-56(35-59(95)96)68(104)86-51(21-13-28-80-72(76)77)64(100)91-57(70(106)107)32-42-16-8-5-9-17-42/h4-11,14-19,22-25,36-37,39-40,48,50-57,60,81,93H,12-13,20-21,26-35,38,73H2,1-3H3,(H,78,83)(H,82,98)(H,84,94)(H,85,101)(H,86,104)(H,87,105)(H,88,103)(H,89,99)(H,90,102)(H,91,100)(H,92,97)(H,95,96)(H,106,107)(H4,74,75,79)(H4,76,77,80)
- InChIKey
- PMODGWNQRKOJGU-UHFFFAOYSA-N
- Compound name
- 3-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxy-3-methylbutylidene]amino]-1-hydroxy-4-methylsulfanylbutylidene]amino]-1-hydroxyethylidene]amino]-1-hydroxy-3-(1H-imidazol-5-yl)propylidene]amino]-1-hydroxy-3-phenylpropylidene]amino]-5-carbamimidamido-1-hydroxypentylidene]amino]-1-hydroxy-3-(1H-indol-3-yl)propylidene]amino]-4-[5-carbamimidamido-1-(1-carboxy-2-phenylethyl)imino-1-hydroxypentan-2-yl]imino-4-hydroxybutanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 1513.7158 | 388.9 |
[M+Na]+ | 1535.6977 | 403.9 |
[M+NH4]+ | 1530.7423 | 405.1 |
[M+K]+ | 1551.6717 | 388.1 |
[M-H]- | 1511.7012 | 402.1 |
[M+Na-2H]- | 1533.6832 | 416.8 |
[M]+ | 1512.7080 | 405.6 |
[M]- | 1512.7090 | 405.6 |
Literature stripe
Patent stripe
No patent data available for this compound.