For research use only. Not for therapeutic Use.
CAS Number | 135467-88-8 |
Synonyms | neuromedin C, Leu(9)-psi-(CH2NH)-Leu(10)- |
Molecular Formula | C51H77N17O10 |
Purity | ≥95% |
Storage | Desiccate at +4C |
IUPAC Name | (2S)-2-[(2-aminoacetyl)amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methylpentan-2-yl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]butanediamide |
InChI | InChI=1S/C51H77N17O10/c1-26(2)12-33(22-58-36(45(54)72)13-27(3)4)63-38(15-31-20-55-24-60-31)50(77)67-43(71)23-59-51(78)44(28(5)6)68-46(73)29(7)62-47(74)37(14-30-19-57-35-11-9-8-10-34(30)35)65-48(75)39(16-32-21-56-25-61-32)66-49(76)40(17-41(53)69)64-42(70)18-52/h8-11,19-21,24-29,33,36-40,44,57-58,63H,12-18,22-23,52H2,1-7H3,(H2,53,69)(H2,54,72)(H,55,60)(H,56,61)(H,59,78)(H,62,74)(H,64,70)(H,65,75)(H,66,76)(H,68,73)(H,67,71,77)/t29-,33-,36-,37-,38-,39-,40-,44-/m0/s1 |
InChIKey | YGODFMCKSWQLOS-DPSMHMHMSA-N |
SMILES | CC(C)CC(CNC(CC(C)C)C(=O)N)NC(CC1=CN=CN1)C(=O)NC(=O)CNC(=O)C(C(C)C)NC(=O)C(C)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CN=CN4)NC(=O)C(CC(=O)N)NC(=O)CN |
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